1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine

C14H22ClN — CID 106865986

IUPAC1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(C)cc1Cl)CC(C)C
InChIInChI=1S/C14H22ClN/c1-10(2)7-13(16-4)9-12-6-5-11(3)8-14(12)15/h5-6,8,10,13,16H,7,9H2,1-4H3
InChIKeyKWNJSTSEGBBGRS-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine

1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine (PubChem CID 106865986) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
PubChem CID106865986
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(C)cc1Cl)CC(C)C
InChIInChI=1S/C14H22ClN/c1-10(2)7-13(16-4)9-12-6-5-11(3)8-14(12)15/h5-6,8,10,13,16H,7,9H2,1-4H3
InChIKeyKWNJSTSEGBBGRS-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 106869442
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 106868573
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine (CID 106865986) is 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine is CNC(Cc1ccc(C)cc1Cl)CC(C)C.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine?
The InChIKey is KWNJSTSEGBBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-10(2)7-13(16-4)9-12-6-5-11(3)8-14(12)15/h5-6,8,10,13,16H,7,9H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 106865986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).