2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine

C18H22ClNO — CID 79436045

IUPAC2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-20-13-15(17-9-4-5-10-18(17)19)11-14-7-6-8-16(12-14)21-2/h4-10,12,15,20H,3,11,13H2,1-2H3
InChIKeyVVBHAOQAODFPOL-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.28
Rot. Bonds7

About 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine

2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine (PubChem CID 79436045) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
PubChem CID79436045
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-20-13-15(17-9-4-5-10-18(17)19)11-14-7-6-8-16(12-14)21-2/h4-10,12,15,20H,3,11,13H2,1-2H3
InChIKeyVVBHAOQAODFPOL-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
CID 102940598
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111755297

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine (CID 79436045) is 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine is CCNCC(Cc1cccc(OC)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine?
The InChIKey is VVBHAOQAODFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20-13-15(17-9-4-5-10-18(17)19)11-14-7-6-8-16(12-14)21-2/h4-10,12,15,20H,3,11,13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine?
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.28, 7 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-(3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 79436045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).