1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine

C16H18ClNO2 — CID 62911731

IUPAC1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11H,10,18H2,1-2H3
InChIKeyQLKKZSBUMRJTAL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.95
Rot. Bonds5

About 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine

1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 62911731) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID62911731
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11H,10,18H2,1-2H3
InChIKeyQLKKZSBUMRJTAL-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine 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-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine (CID 62911731) is 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(COc2ccc(C(C)N)cc2Cl)cc1.
What is the InChIKey of 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is QLKKZSBUMRJTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine?
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62911731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).