1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine

C15H24ClN — CID 106866712

IUPAC1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-11(2)5-8-14(17-4)10-13-7-6-12(3)9-15(13)16/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyYRVCVPNQHRHRDC-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.22
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine

1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine (PubChem CID 106866712) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
PubChem CID106866712
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-11(2)5-8-14(17-4)10-13-7-6-12(3)9-15(13)16/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyYRVCVPNQHRHRDC-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
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-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
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)-N,4-dimethylpentan-3-amine
CID 106864909
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine (CID 106866712) is 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine is CNC(CCC(C)C)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine?
The InChIKey is YRVCVPNQHRHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11(2)5-8-14(17-4)10-13-7-6-12(3)9-15(13)16/h6-7,9,11,14,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine?
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.22, 6 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,5-dimethylhexan-2-amine is sourced from PubChem (CID 106866712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).