N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine

C17H20ClNO — CID 63416707

IUPACN-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-12-19-17(14-8-10-15(18)11-9-14)13-20-16-6-4-3-5-7-16/h3-11,17,19H,2,12-13H2,1H3
InChIKeyMLGPIPPBCKBMNW-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.46
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine

N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine (PubChem CID 63416707) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
PubChem CID63416707
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-2-12-19-17(14-8-10-15(18)11-9-14)13-20-16-6-4-3-5-7-16/h3-11,17,19H,2,12-13H2,1H3
InChIKeyMLGPIPPBCKBMNW-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

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Related Compounds

N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
CID 105146820
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine (CID 63416707) is N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine is CCCNC(COc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
The InChIKey is MLGPIPPBCKBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-12-19-17(14-8-10-15(18)11-9-14)13-20-16-6-4-3-5-7-16/h3-11,17,19H,2,12-13H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine?
N-[1-(4-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-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine is sourced from PubChem (CID 63416707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).