1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine

C16H18ClNO — CID 112678472

IUPAC1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14H,3,18H2,1-2H3
InChIKeyOBEUGFMMNZYHOD-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.85
Rot. Bonds4

About 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine

1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine (PubChem CID 112678472) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
PubChem CID112678472
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14H,3,18H2,1-2H3
InChIKeyOBEUGFMMNZYHOD-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine 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

(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
1-[2-(2-chloro-5-nitrophenoxy)phenyl]propan-1-amine
CID 115995697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine (CID 112678472) is 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1ccc(C)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine?
The InChIKey is OBEUGFMMNZYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-14(18)12-6-4-5-7-15(12)19-16-9-8-11(2)10-13(16)17/h4-10,14H,3,18H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine?
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 112678472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).