1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine

C18H30ClN — CID 82986931

IUPAC1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(CCC)CCC
InChIInChI=1S/C18H30ClN/c1-4-9-15(10-5-2)18(20-13-6-3)14-16-11-7-8-12-17(16)19/h7-8,11-12,15,18,20H,4-6,9-10,13-14H2,1-3H3
InChIKeyJKAQZZYPYNJWCF-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.47
Rot. Bonds10

About 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine

1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine (PubChem CID 82986931) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
PubChem CID82986931
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(CCC)CCC
InChIInChI=1S/C18H30ClN/c1-4-9-15(10-5-2)18(20-13-6-3)14-16-11-7-8-12-17(16)19/h7-8,11-12,15,18,20H,4-6,9-10,13-14H2,1-3H3
InChIKeyJKAQZZYPYNJWCF-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 105020425
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine (CID 82986931) is 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine is CCCNC(Cc1ccccc1Cl)C(CCC)CCC.
What is the InChIKey of 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine?
The InChIKey is JKAQZZYPYNJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-4-9-15(10-5-2)18(20-13-6-3)14-16-11-7-8-12-17(16)19/h7-8,11-12,15,18,20H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine?
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine has a molecular weight of 295.90 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine is sourced from PubChem (CID 82986931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).