3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine

C18H22ClNO — CID 83974093

IUPAC3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H22ClNO/c1-3-21-18-9-6-15(10-13(18)2)16(12-20)11-14-4-7-17(19)8-5-14/h4-10,16H,3,11-12,20H2,1-2H3
InChIKeyXGDANUICOJABPR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.33
Rot. Bonds6

About 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine

3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine (PubChem CID 83974093) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
PubChem CID83974093
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H22ClNO/c1-3-21-18-9-6-15(10-13(18)2)16(12-20)11-14-4-7-17(19)8-5-14/h4-10,16H,3,11-12,20H2,1-2H3
InChIKeyXGDANUICOJABPR-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
CID 83974047
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine (CID 83974093) is 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine is CCOc1ccc(C(CN)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine?
The InChIKey is XGDANUICOJABPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-21-18-9-6-15(10-13(18)2)16(12-20)11-14-4-7-17(19)8-5-14/h4-10,16H,3,11-12,20H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine?
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.33, 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-(4-ethoxy-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).