2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine

C18H22ClNO — CID 102940598

IUPAC2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
SMILESCCNCC(COCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-2-20-12-16(17-10-6-7-11-18(17)19)14-21-13-15-8-4-3-5-9-15/h3-11,16,20H,2,12-14H2,1H3
InChIKeyYCSXKFNCIILKPB-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.25
Rot. Bonds8

About 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine

2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine (PubChem CID 102940598) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
PubChem CID102940598
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
SMILESCCNCC(COCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-2-20-12-16(17-10-6-7-11-18(17)19)14-21-13-15-8-4-3-5-9-15/h3-11,16,20H,2,12-14H2,1H3
InChIKeyYCSXKFNCIILKPB-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine (CID 102940598) is 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine is CCNCC(COCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine?
The InChIKey is YCSXKFNCIILKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-20-12-16(17-10-6-7-11-18(17)19)14-21-13-15-8-4-3-5-9-15/h3-11,16,20H,2,12-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine?
2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).