1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine

C15H24ClN — CID 63526507

IUPAC1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H24ClN/c1-4-10-17-15(12(3)5-2)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyXXMNZQKAXBDLLL-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine

1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine (PubChem CID 63526507) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
PubChem CID63526507
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H24ClN/c1-4-10-17-15(12(3)5-2)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyXXMNZQKAXBDLLL-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine (CID 63526507) is 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccccc1Cl)C(C)CC.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine?
The InChIKey is XXMNZQKAXBDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-10-17-15(12(3)5-2)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine?
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 63526507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).