N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine

C17H20ClNO — CID 63416306

IUPACN-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-2-11-19-17(14-7-6-8-15(18)12-14)13-20-16-9-4-3-5-10-16/h3-10,12,17,19H,2,11,13H2,1H3
InChIKeyNWMJDKHLHGTBKF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.46
Rot. Bonds7

About N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine

N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine (PubChem CID 63416306) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
PubChem CID63416306
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-2-11-19-17(14-7-6-8-15(18)12-14)13-20-16-9-4-3-5-10-16/h3-10,12,17,19H,2,11,13H2,1H3
InChIKeyNWMJDKHLHGTBKF-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)-2-phenoxyethyl]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

N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine (CID 63416306) is N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine is CCCNC(COc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The InChIKey is NWMJDKHLHGTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-11-19-17(14-7-6-8-15(18)12-14)13-20-16-9-4-3-5-10-16/h3-10,12,17,19H,2,11,13H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine is sourced from PubChem (CID 63416306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).