N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine

C15H16ClNO — CID 4723308

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-8-7-14(16)9-13(15)11-17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeySMPMZTOIUDXSPD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.64
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 4723308) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID4723308
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-8-7-14(16)9-13(15)11-17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeySMPMZTOIUDXSPD-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid
CID 4723343
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
2-[(benzylamino)methyl]-4-chloroaniline
CID 154201648
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine (CID 4723308) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine is COc1ccc(Cl)cc1CNCc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is SMPMZTOIUDXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-18-15-8-7-14(16)9-13(15)11-17-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 4723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).