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

C17H20ClNO — CID 4716575

IUPACN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyFCHXSYFHBNDOSP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.42
Rot. Bonds7

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

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 4716575) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID4716575
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyFCHXSYFHBNDOSP-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.42
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-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 4716575) is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is FCHXSYFHBNDOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 4716575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).