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

C18H23NO — CID 39368953

IUPACN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-11-19-13-16-8-6-10-18(12-16)20-14-17-9-5-4-7-15(17)2/h4-10,12,19H,3,11,13-14H2,1-2H3
InChIKeyXCKINSLSRQMNDW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds7

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

N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 39368953) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID39368953
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-11-19-13-16-8-6-10-18(12-16)20-14-17-9-5-4-7-15(17)2/h4-10,12,19H,3,11,13-14H2,1-2H3
InChIKeyXCKINSLSRQMNDW-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
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-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63501140
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 83138173
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349028
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine (CID 39368953) is N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCc2ccccc2C)c1.
What is the InChIKey of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is XCKINSLSRQMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-11-19-13-16-8-6-10-18(12-16)20-14-17-9-5-4-7-15(17)2/h4-10,12,19H,3,11,13-14H2,1-2H3.
What are the key properties of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 39368953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).