2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine

C16H18ClNO — CID 115464889

IUPAC2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cc(Cl)ccc1OCc1ccccc1CCN
InChIInChI=1S/C16H18ClNO/c1-12-10-15(17)6-7-16(12)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyJAPSSIUPEXXRMA-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.73
Rot. Bonds5

About 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine

2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine (PubChem CID 115464889) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
PubChem CID115464889
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cc(Cl)ccc1OCc1ccccc1CCN
InChIInChI=1S/C16H18ClNO/c1-12-10-15(17)6-7-16(12)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyJAPSSIUPEXXRMA-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(4-chloro-2-methylphenoxy)methyl]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

2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
CID 115464873
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
3-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 62894995
2-[(4-bromo-2-methylphenoxy)methyl]-4-chloroaniline
CID 79582431
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine (CID 115464889) is 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine is Cc1cc(Cl)ccc1OCc1ccccc1CCN.
What is the InChIKey of 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is JAPSSIUPEXXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-10-15(17)6-7-16(12)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine?
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 115464889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).