1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine

C17H27N — CID 64774200

IUPAC1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCC1CCC(C(NC)c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h5-7,12,14-15,17-18H,4,8-11H2,1-3H3
InChIKeyNQXBGEKGVPOJKU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 64774200) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID64774200
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCC1CCC(C(NC)c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h5-7,12,14-15,17-18H,4,8-11H2,1-3H3
InChIKeyNQXBGEKGVPOJKU-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115789805
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 64774200) is 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine is CCC1CCC(C(NC)c2cccc(C)c2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is NQXBGEKGVPOJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-8-10-15(11-9-14)17(18-3)16-7-5-6-13(2)12-16/h5-7,12,14-15,17-18H,4,8-11H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 64774200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).