4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine

C29H36N2O3 — CID 23818696

IUPAC4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCOc1cccc(CN(Cc2ccc(OCc3ccccc3)c(OC)c2)C2CCC(N)CC2)c1
InChIInChI=1S/C29H36N2O3/c1-32-27-10-6-9-23(17-27)19-31(26-14-12-25(30)13-15-26)20-24-11-16-28(29(18-24)33-2)34-21-22-7-4-3-5-8-22/h3-11,16-18,25-26H,12-15,19-21,30H2,1-2H3
InChIKeyPRYPXYHBGKUFMM-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.55
Rot. Bonds10

About 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine

4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 23818696) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID23818696
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCOc1cccc(CN(Cc2ccc(OCc3ccccc3)c(OC)c2)C2CCC(N)CC2)c1
InChIInChI=1S/C29H36N2O3/c1-32-27-10-6-9-23(17-27)19-31(26-14-12-25(30)13-15-26)20-24-11-16-28(29(18-24)33-2)34-21-22-7-4-3-5-8-22/h3-11,16-18,25-26H,12-15,19-21,30H2,1-2H3
InChIKeyPRYPXYHBGKUFMM-UHFFFAOYSA-N
XLogP5.55
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556
4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexan-1-ol
CID 86885959
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46006889
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]propanethioamide
CID 54997340
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine (CID 23818696) is 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine is COc1cccc(CN(Cc2ccc(OCc3ccccc3)c(OC)c2)C2CCC(N)CC2)c1.
What is the InChIKey of 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is PRYPXYHBGKUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-32-27-10-6-9-23(17-27)19-31(26-14-12-25(30)13-15-26)20-24-11-16-28(29(18-24)33-2)34-21-22-7-4-3-5-8-22/h3-11,16-18,25-26H,12-15,19-21,30H2,1-2H3.
What are the key properties of 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 460.62 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 23818696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).