1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine

C18H21Cl2N — CID 63415878

IUPAC1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H21Cl2N/c1-11-6-12(2)16(13(3)7-11)10-15(21)8-14-4-5-17(19)18(20)9-14/h4-7,9,15H,8,10,21H2,1-3H3
InChIKeyMOZDWKIRXOZCPL-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.03
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 63415878) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID63415878
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H21Cl2N/c1-11-6-12(2)16(13(3)7-11)10-15(21)8-14-4-5-17(19)18(20)9-14/h4-7,9,15H,8,10,21H2,1-3H3
InChIKeyMOZDWKIRXOZCPL-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
[2-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105210812
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
1-(3,4-dichlorophenyl)hept-5-yn-2-amine
CID 104805196
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79807982

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 63415878) is 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)Cc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is MOZDWKIRXOZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-11-6-12(2)16(13(3)7-11)10-15(21)8-14-4-5-17(19)18(20)9-14/h4-7,9,15H,8,10,21H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 5.03, 4 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-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 63415878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).