2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine

C15H24ClN — CID 82017487

IUPAC2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-9-15(11-17,10-12(2)3)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,17H2,1-3H3
InChIKeyRFKBNZLHFMXRLS-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine

2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine (PubChem CID 82017487) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
PubChem CID82017487
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
SMILESCCCC(CN)(CC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-4-9-15(11-17,10-12(2)3)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,17H2,1-3H3
InChIKeyRFKBNZLHFMXRLS-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine
CID 142145954
5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
CID 142076103
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
1-chloro-4-[1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 79453553
4-amino-2-(4-chlorophenyl)-3,3-dimethylbutan-2-ol
CID 79128366
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
CID 43830852

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine (CID 82017487) is 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine is CCCC(CN)(CC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine?
The InChIKey is RFKBNZLHFMXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-9-15(11-17,10-12(2)3)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine?
2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 82017487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).