N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine

C17H27N — CID 64682184

IUPACN-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCc1ccccc1CNC1C(C)CCCC1C
InChIInChI=1S/C17H27N/c1-4-15-10-5-6-11-16(15)12-18-17-13(2)8-7-9-14(17)3/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3
InChIKeyZGJGRTKRASQZJR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine

N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 64682184) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID64682184
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCc1ccccc1CNC1C(C)CCCC1C
InChIInChI=1S/C17H27N/c1-4-15-10-5-6-11-16(15)12-18-17-13(2)8-7-9-14(17)3/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3
InChIKeyZGJGRTKRASQZJR-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 61212459
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
N-[(2-ethylphenyl)methyl]-1,1-dioxothian-4-amine
CID 62391393
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60734781

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine (CID 64682184) is N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine is CCc1ccccc1CNC1C(C)CCCC1C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is ZGJGRTKRASQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-15-10-5-6-11-16(15)12-18-17-13(2)8-7-9-14(17)3/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64682184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).