2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

C18H29Cl2N — CID 63510738

IUPAC2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H29Cl2N/c1-5-9-18(10-6-2,13-21-12-14(3)4)15-7-8-16(19)17(20)11-15/h7-8,11,14,21H,5-6,9-10,12-13H2,1-4H3
InChIKeyABKJLCZFFGWYAJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP6.08
Rot. Bonds9

About 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (PubChem CID 63510738) has the molecular formula C18H29Cl2N and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
PubChem CID63510738
Molecular FormulaC18H29Cl2N
Molecular Weight330.34 g/mol
Exact Mass329.17
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H29Cl2N/c1-5-9-18(10-6-2,13-21-12-14(3)4)15-7-8-16(19)17(20)11-15/h7-8,11,14,21H,5-6,9-10,12-13H2,1-4H3
InChIKeyABKJLCZFFGWYAJ-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
CID 83108581
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (CID 63510738) is 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The InChIKey is ABKJLCZFFGWYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl2N/c1-5-9-18(10-6-2,13-21-12-14(3)4)15-7-8-16(19)17(20)11-15/h7-8,11,14,21H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63510738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).