3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine

C23H33NO2 — CID 3958867

IUPAC3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
SMILESCOc1ccc(CNCCC(CCC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H33NO2/c1-18(2)5-8-21(20-9-13-23(26-4)14-10-20)15-16-24-17-19-6-11-22(25-3)12-7-19/h6-7,9-14,18,21,24H,5,8,15-17H2,1-4H3
InChIKeyLUFXWMHKGCJJAY-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.40
Rot. Bonds11

About 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine (PubChem CID 3958867) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
PubChem CID3958867
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
SMILESCOc1ccc(CNCCC(CCC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H33NO2/c1-18(2)5-8-21(20-9-13-23(26-4)14-10-20)15-16-24-17-19-6-11-22(25-3)12-7-19/h6-7,9-14,18,21,24H,5,8,15-17H2,1-4H3
InChIKeyLUFXWMHKGCJJAY-UHFFFAOYSA-N
XLogP5.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(4-methoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714620
(3R)-N-benzyl-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 2048004
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7707299
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658332
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine (CID 3958867) is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine is COc1ccc(CNCCC(CCC(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine?
The InChIKey is LUFXWMHKGCJJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-18(2)5-8-21(20-9-13-23(26-4)14-10-20)15-16-24-17-19-6-11-22(25-3)12-7-19/h6-7,9-14,18,21,24H,5,8,15-17H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine?
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine has a molecular weight of 355.52 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine is sourced from PubChem (CID 3958867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).