1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine

C18H21Cl2N — CID 63415619

IUPAC1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(N)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N/c1-12(2)15-6-3-13(4-7-15)9-16(21)10-14-5-8-17(19)18(20)11-14/h3-8,11-12,16H,9-10,21H2,1-2H3
InChIKeyNUROSYWRDQTLMR-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.23
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine

1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 63415619) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID63415619
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCC(C)c1ccc(CC(N)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N/c1-12(2)15-6-3-13(4-7-15)9-16(21)10-14-5-8-17(19)18(20)11-14/h3-8,11-12,16H,9-10,21H2,1-2H3
InChIKeyNUROSYWRDQTLMR-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63415878
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
1-(3,4-dichlorophenyl)hept-5-yn-2-amine
CID 104805196
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
methyl (3S)-3-amino-4-(3,4-dichlorophenyl)butanoate
CID 68773139

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine (CID 63415619) is 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine is CC(C)c1ccc(CC(N)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is NUROSYWRDQTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-12(2)15-6-3-13(4-7-15)9-16(21)10-14-5-8-17(19)18(20)11-14/h3-8,11-12,16H,9-10,21H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine?
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 63415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).