3-methyl-2-(2-methylphenyl)hexan-1-amine

C14H23N — CID 107886318

IUPAC3-methyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCCC(C)C(CN)c1ccccc1C
InChIInChI=1S/C14H23N/c1-4-7-11(2)14(10-15)13-9-6-5-8-12(13)3/h5-6,8-9,11,14H,4,7,10,15H2,1-3H3
InChIKeyWIGNBSFVHISBGS-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.47
Rot. Bonds5

About 3-methyl-2-(2-methylphenyl)hexan-1-amine

3-methyl-2-(2-methylphenyl)hexan-1-amine (PubChem CID 107886318) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)hexan-1-amine
PubChem CID107886318
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name3-methyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCCC(C)C(CN)c1ccccc1C
InChIInChI=1S/C14H23N/c1-4-7-11(2)14(10-15)13-9-6-5-8-12(13)3/h5-6,8-9,11,14H,4,7,10,15H2,1-3H3
InChIKeyWIGNBSFVHISBGS-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
1-amino-4-methyl-2-(2-methylphenyl)octan-3-ol
CID 114247128
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
3-methyl-2-(2-methylphenyl)hexanoic acid
CID 56997006
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565
2-(2-methylphenyl)decan-1-amine
CID 79421405
1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)hexan-1-amine?
The IUPAC name of 3-methyl-2-(2-methylphenyl)hexan-1-amine (CID 107886318) is 3-methyl-2-(2-methylphenyl)hexan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)hexan-1-amine?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)hexan-1-amine is CCCC(C)C(CN)c1ccccc1C.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)hexan-1-amine?
The InChIKey is WIGNBSFVHISBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-7-11(2)14(10-15)13-9-6-5-8-12(13)3/h5-6,8-9,11,14H,4,7,10,15H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylphenyl)hexan-1-amine?
3-methyl-2-(2-methylphenyl)hexan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)hexan-1-amine is sourced from PubChem (CID 107886318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).