1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol

C30H37NO4 — CID 121452789

IUPAC1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCC1(O)CCCCC1
InChIInChI=1S/C30H37NO4/c1-22-24(13-10-14-26(22)23-11-6-4-7-12-23)20-35-25-17-28(33-2)27(29(18-25)34-3)19-31-21-30(32)15-8-5-9-16-30/h4,6-7,10-14,17-18,31-32H,5,8-9,15-16,19-21H2,1-3H3
InChIKeyDXRWTYQYYIQFFT-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.04
Rot. Bonds10

About 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol

1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 121452789) has the molecular formula C30H37NO4 and a molecular weight of 475.63 g/mol. Its IUPAC name is 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID121452789
Molecular FormulaC30H37NO4
Molecular Weight475.63 g/mol
Exact Mass475.27
IUPAC Name1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCC1(O)CCCCC1
InChIInChI=1S/C30H37NO4/c1-22-24(13-10-14-26(22)23-11-6-4-7-12-23)20-35-25-17-28(33-2)27(29(18-25)34-3)19-31-21-30(32)15-8-5-9-16-30/h4,6-7,10-14,17-18,31-32H,5,8-9,15-16,19-21H2,1-3H3
InChIKeyDXRWTYQYYIQFFT-UHFFFAOYSA-N
XLogP6.04
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 130316749
(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 121452790
trans-(1S,2S)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]cyclopentan-1-ol
CID 121452770
7-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyheptanamide
CID 163322236
2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol
CID 121460134
4-[[[4-[[3-[3-[[3,5-dimethoxy-4-[[(4-oxoazetidin-2-yl)methylamino]methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2,6-dimethoxyphenyl]methylamino]methyl]azetidin-2-one
CID 134240621
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
2-[[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenoxy]methyl]-6-[3-[[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenoxy]methyl]phenyl]benzonitrile
CID 134230989
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
2-[2-[[4-[[(2-hydroxyphenyl)methylamino]methyl]-3,5-dimethoxyphenoxy]methyl]phenyl]benzonitrile
CID 174802356
N-(3-chloro-4-fluorophenyl)-6-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethoxy]-7-methoxyquinazolin-4-amine
CID 177374880

Frequently Asked Questions

What is the IUPAC name of 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol (CID 121452789) is 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol is COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is DXRWTYQYYIQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO4/c1-22-24(13-10-14-26(22)23-11-6-4-7-12-23)20-35-25-17-28(33-2)27(29(18-25)34-3)19-31-21-30(32)15-8-5-9-16-30/h4,6-7,10-14,17-18,31-32H,5,8-9,15-16,19-21H2,1-3H3.
What are the key properties of 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 475.63 g/mol, XLogP of 6.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 121452789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).