N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine

C18H23NO — CID 61034457

IUPACN-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cccc(CNC(C)C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-7-16(11-15)17-8-9-18(20-4)14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeyGJSCKTFNJQGUBP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds5

About N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine

N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 61034457) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID61034457
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cccc(CNC(C)C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-7-16(11-15)17-8-9-18(20-4)14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeyGJSCKTFNJQGUBP-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 83046374
(1S)-1-(4-methoxy-3-methylphenyl)-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]ethanamine
CID 99853538
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine (CID 61034457) is N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine is COc1ccc(-c2cccc(CNC(C)C)c2)cc1C.
What is the InChIKey of N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is GJSCKTFNJQGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-7-16(11-15)17-8-9-18(20-4)14(3)10-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).