3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine

C15H24ClN — CID 54897030

IUPAC3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-4-10-17-12(3)13(5-2)11-14-8-6-7-9-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeySNRZICQYBASTPL-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine

3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine (PubChem CID 54897030) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
PubChem CID54897030
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClN/c1-4-10-17-12(3)13(5-2)11-14-8-6-7-9-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeySNRZICQYBASTPL-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

3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
3-[(2-chlorophenyl)methylsulfanyl]-N-propylbutan-2-amine
CID 103291090
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
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 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine (CID 54897030) is 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is SNRZICQYBASTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-10-17-12(3)13(5-2)11-14-8-6-7-9-15(14)16/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine?
3-[(2-chlorophenyl)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 3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 54897030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).