3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine

C16H25N — CID 43081561

IUPAC3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1C(C)NC1CCCC(C)C1
InChIInChI=1S/C16H25N/c1-12-7-6-9-15(11-12)17-14(3)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11H2,1-3H3
InChIKeyFRTLBHZQQAUOMF-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds3

About 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine

3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 43081561) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID43081561
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1C(C)NC1CCCC(C)C1
InChIInChI=1S/C16H25N/c1-12-7-6-9-15(11-12)17-14(3)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11H2,1-3H3
InChIKeyFRTLBHZQQAUOMF-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 43081561) is 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccccc1C(C)NC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is FRTLBHZQQAUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-6-9-15(11-12)17-14(3)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43081561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).