N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine

C29H35NO3 — CID 130316749

IUPACN-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC1CCCCC1
InChIInChI=1S/C29H35NO3/c1-21-23(13-10-16-26(21)22-11-6-4-7-12-22)20-33-25-17-28(31-2)27(29(18-25)32-3)19-30-24-14-8-5-9-15-24/h4,6-7,10-13,16-18,24,30H,5,8-9,14-15,19-20H2,1-3H3
InChIKeyAOSDNFJHPWVYHU-UHFFFAOYSA-N
MW445.60 g/mol
LogP6.68
Rot. Bonds9

About N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine

N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine (PubChem CID 130316749) has the molecular formula C29H35NO3 and a molecular weight of 445.60 g/mol. Its IUPAC name is N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
PubChem CID130316749
Molecular FormulaC29H35NO3
Molecular Weight445.60 g/mol
Exact Mass445.26
IUPAC NameN-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESCOc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC1CCCCC1
InChIInChI=1S/C29H35NO3/c1-21-23(13-10-16-26(21)22-11-6-4-7-12-22)20-33-25-17-28(31-2)27(29(18-25)32-3)19-30-24-14-8-5-9-15-24/h4,6-7,10-13,16-18,24,30H,5,8-9,14-15,19-20H2,1-3H3
InChIKeyAOSDNFJHPWVYHU-UHFFFAOYSA-N
XLogP6.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine with MolForge

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Related Compounds

trans-(1S,2S)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]cyclopentan-1-ol
CID 121452770
1-[[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-ol
CID 121452789
(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 121452790
7-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyheptanamide
CID 163322236
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
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-[(cyclohexylamino)methyl]-6-phenylphenol
CID 138615262
2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol
CID 121460134
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N-[[4-[[3-(3-ethoxyphenyl)-2-methylphenyl]methoxy]-2,6-dimethoxyphenyl]methyl]-2-methyl-1-(4-methylpiperazin-2-yl)propan-2-amine
CID 121452791
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine (CID 130316749) is N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine is COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC1CCCCC1.
What is the InChIKey of N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The InChIKey is AOSDNFJHPWVYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3/c1-21-23(13-10-16-26(21)22-11-6-4-7-12-22)20-33-25-17-28(31-2)27(29(18-25)32-3)19-30-24-14-8-5-9-15-24/h4,6-7,10-13,16-18,24,30H,5,8-9,14-15,19-20H2,1-3H3.
What are the key properties of N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine has a molecular weight of 445.60 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 130316749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).