N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine

C17H21NO — CID 54911743

IUPACN-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C17H21NO/c1-3-11-18-13-14-7-6-8-15(12-14)16-9-4-5-10-17(16)19-2/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyOEYHMHPSESOCLJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.86
Rot. Bonds6

About N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine

N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine (PubChem CID 54911743) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
PubChem CID54911743
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C17H21NO/c1-3-11-18-13-14-7-6-8-15(12-14)16-9-4-5-10-17(16)19-2/h4-10,12,18H,3,11,13H2,1-2H3
InChIKeyOEYHMHPSESOCLJ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.86
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-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446
N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
CID 116810952
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
CID 16672060
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
CID 72943652

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine (CID 54911743) is N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2ccccc2OC)c1.
What is the InChIKey of N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is OEYHMHPSESOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-11-18-13-14-7-6-8-15(12-14)16-9-4-5-10-17(16)19-2/h4-10,12,18H,3,11,13H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine?
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 54911743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).