1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H16ClNO — CID 62460997

IUPAC1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-17-10-12-5-2-3-6-13(12)11-18-15-8-4-7-14(16)9-15/h2-9,17H,10-11H2,1H3
InChIKeyZGOXSOLZPNXFMY-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.64
Rot. Bonds5

About 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 62460997) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID62460997
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-17-10-12-5-2-3-6-13(12)11-18-15-8-4-7-14(16)9-15/h2-9,17H,10-11H2,1H3
InChIKeyZGOXSOLZPNXFMY-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

Analyze 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
N-methyl-1-[2-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107314976
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 62460997) is 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccccc1COc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is ZGOXSOLZPNXFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-10-12-5-2-3-6-13(12)11-18-15-8-4-7-14(16)9-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine 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 1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62460997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).