3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine

C19H24ClNO — CID 83977058

IUPAC3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C19H24ClNO/c1-4-22-19-6-5-15(11-18(19)20)10-17(12-21)16-8-13(2)7-14(3)9-16/h5-9,11,17H,4,10,12,21H2,1-3H3
InChIKeyPRVSOJQZRSBJPJ-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.64
Rot. Bonds6

About 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine

3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 83977058) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
PubChem CID83977058
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C19H24ClNO/c1-4-22-19-6-5-15(11-18(19)20)10-17(12-21)16-8-13(2)7-14(3)9-16/h5-9,11,17H,4,10,12,21H2,1-3H3
InChIKeyPRVSOJQZRSBJPJ-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine (CID 83977058) is 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2cc(C)cc(C)c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is PRVSOJQZRSBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-4-22-19-6-5-15(11-18(19)20)10-17(12-21)16-8-13(2)7-14(3)9-16/h5-9,11,17H,4,10,12,21H2,1-3H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83977058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).