3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine

C19H24ClNO — CID 83974142

IUPAC3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C(CN)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C19H24ClNO/c1-3-10-22-19-9-8-15(11-14(19)2)17(13-21)12-16-6-4-5-7-18(16)20/h4-9,11,17H,3,10,12-13,21H2,1-2H3
InChIKeyXEOTVUZOACDASG-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.72
Rot. Bonds7

About 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine

3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine (PubChem CID 83974142) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
PubChem CID83974142
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C(CN)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C19H24ClNO/c1-3-10-22-19-9-8-15(11-14(19)2)17(13-21)12-16-6-4-5-7-18(16)20/h4-9,11,17H,3,10,12-13,21H2,1-2H3
InChIKeyXEOTVUZOACDASG-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
CID 83974047
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine (CID 83974142) is 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine is CCCOc1ccc(C(CN)Cc2ccccc2Cl)cc1C.
What is the InChIKey of 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine?
The InChIKey is XEOTVUZOACDASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-3-10-22-19-9-8-15(11-14(19)2)17(13-21)12-16-6-4-5-7-18(16)20/h4-9,11,17H,3,10,12-13,21H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine?
3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).