N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine

C18H23NO2 — CID 43494597

IUPACN-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-12-19-18(14-8-6-5-7-9-14)15-10-11-16(20-2)17(13-15)21-3/h5-11,13,18-19H,4,12H2,1-3H3
InChIKeyTUQRHCXCLUYLFD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.79
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine

N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine (PubChem CID 43494597) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
PubChem CID43494597
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-12-19-18(14-8-6-5-7-9-14)15-10-11-16(20-2)17(13-15)21-3/h5-11,13,18-19H,4,12H2,1-3H3
InChIKeyTUQRHCXCLUYLFD-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
CID 43494447
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine (CID 43494597) is N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine?
The InChIKey is TUQRHCXCLUYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-12-19-18(14-8-6-5-7-9-14)15-10-11-16(20-2)17(13-15)21-3/h5-11,13,18-19H,4,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine?
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 43494597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).