3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine

C17H20ClN — CID 83972824

IUPAC3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-12-6-7-17(13(2)8-12)15(11-19)9-14-4-3-5-16(18)10-14/h3-8,10,15H,9,11,19H2,1-2H3
InChIKeyUIRBLDJWONXHQE-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.24
Rot. Bonds4

About 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine

3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine (PubChem CID 83972824) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
PubChem CID83972824
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-12-6-7-17(13(2)8-12)15(11-19)9-14-4-3-5-16(18)10-14/h3-8,10,15H,9,11,19H2,1-2H3
InChIKeyUIRBLDJWONXHQE-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
[2-(3-chlorophenyl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105194932
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol
CID 83975370

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine (CID 83972824) is 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The InChIKey is UIRBLDJWONXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-6-7-17(13(2)8-12)15(11-19)9-14-4-3-5-16(18)10-14/h3-8,10,15H,9,11,19H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83972824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).