2-methyl-6-(2-methylphenyl)hexan-3-amine

C14H23N — CID 64505350

IUPAC2-methyl-6-(2-methylphenyl)hexan-3-amine
SMILESCc1ccccc1CCCC(N)C(C)C
InChIInChI=1S/C14H23N/c1-11(2)14(15)10-6-9-13-8-5-4-7-12(13)3/h4-5,7-8,11,14H,6,9-10,15H2,1-3H3
InChIKeyHNICOLRRXHPTSG-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-6-(2-methylphenyl)hexan-3-amine

2-methyl-6-(2-methylphenyl)hexan-3-amine (PubChem CID 64505350) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)hexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)hexan-3-amine
PubChem CID64505350
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-methyl-6-(2-methylphenyl)hexan-3-amine
SMILESCc1ccccc1CCCC(N)C(C)C
InChIInChI=1S/C14H23N/c1-11(2)14(15)10-6-9-13-8-5-4-7-12(13)3/h4-5,7-8,11,14H,6,9-10,15H2,1-3H3
InChIKeyHNICOLRRXHPTSG-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
1-(4-bromo-5-methylhexyl)-2-methylbenzene
CID 64508318
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
6-(2-methylphenyl)hexan-3-ol
CID 64514172
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
CID 11471040
1-(2-methylphenyl)heptan-3-amine
CID 105125604
2-(4-amino-5-methylhexyl)-4-methylphenol
CID 83922823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)hexan-3-amine?
The IUPAC name of 2-methyl-6-(2-methylphenyl)hexan-3-amine (CID 64505350) is 2-methyl-6-(2-methylphenyl)hexan-3-amine.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)hexan-3-amine?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)hexan-3-amine is Cc1ccccc1CCCC(N)C(C)C.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)hexan-3-amine?
The InChIKey is HNICOLRRXHPTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)14(15)10-6-9-13-8-5-4-7-12(13)3/h4-5,7-8,11,14H,6,9-10,15H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylphenyl)hexan-3-amine?
2-methyl-6-(2-methylphenyl)hexan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)hexan-3-amine is sourced from PubChem (CID 64505350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).