3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine

C18H22ClNO — CID 82139388

IUPAC3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
SMILESCCc1cc(C(CN)Cc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H22ClNO/c1-3-14-11-15(6-9-18(14)21-2)16(12-20)10-13-4-7-17(19)8-5-13/h4-9,11,16H,3,10,12,20H2,1-2H3
InChIKeyQDHFWPXEMHXSTJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine

3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine (PubChem CID 82139388) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
PubChem CID82139388
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
SMILESCCc1cc(C(CN)Cc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H22ClNO/c1-3-14-11-15(6-9-18(14)21-2)16(12-20)10-13-4-7-17(19)8-5-13/h4-9,11,16H,3,10,12,20H2,1-2H3
InChIKeyQDHFWPXEMHXSTJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine
CID 82138520
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine (CID 82139388) is 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine is CCc1cc(C(CN)Cc2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The InChIKey is QDHFWPXEMHXSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14-11-15(6-9-18(14)21-2)16(12-20)10-13-4-7-17(19)8-5-13/h4-9,11,16H,3,10,12,20H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine?
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82139388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).