1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine

C15H24ClN — CID 65025716

IUPAC1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(C)cc(CNC(CCl)CC(C)C)c1
InChIInChI=1S/C15H24ClN/c1-11(2)5-15(9-16)17-10-14-7-12(3)6-13(4)8-14/h6-8,11,15,17H,5,9-10H2,1-4H3
InChIKeyDXNKFZIYPIHMJO-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.05
Rot. Bonds6

About 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine

1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 65025716) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
PubChem CID65025716
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(C)cc(CNC(CCl)CC(C)C)c1
InChIInChI=1S/C15H24ClN/c1-11(2)5-15(9-16)17-10-14-7-12(3)6-13(4)8-14/h6-8,11,15,17H,5,9-10H2,1-4H3
InChIKeyDXNKFZIYPIHMJO-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 79259499
N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 60690388
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65025834
1-bromo-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 107859724
1-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65025603
N-[(3,5-dimethylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639704
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide
CID 145198454
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65026055
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine (CID 65025716) is 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine is Cc1cc(C)cc(CNC(CCl)CC(C)C)c1.
What is the InChIKey of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is DXNKFZIYPIHMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11(2)5-15(9-16)17-10-14-7-12(3)6-13(4)8-14/h6-8,11,15,17H,5,9-10H2,1-4H3.
What are the key properties of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine?
1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 65025716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).