N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine

C18H23NO — CID 61032764

IUPACN-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(OC)cc1C
InChIInChI=1S/C18H23NO/c1-4-11-19-13-15-7-5-6-8-18(15)17-10-9-16(20-3)12-14(17)2/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyBBRMMCZQXFFAEC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds6

About N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine

N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 61032764) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID61032764
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(OC)cc1C
InChIInChI=1S/C18H23NO/c1-4-11-19-13-15-7-5-6-8-18(15)17-10-9-16(20-3)12-14(17)2/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyBBRMMCZQXFFAEC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 55110548
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propanamide
CID 56706716
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
CID 112749810

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine (CID 61032764) is N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc(OC)cc1C.
What is the InChIKey of N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is BBRMMCZQXFFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-11-19-13-15-7-5-6-8-18(15)17-10-9-16(20-3)12-14(17)2/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61032764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).