2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine

C17H27N — CID 106827638

IUPAC2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2(C)CCCCC2)cc1C
InChIInChI=1S/C17H27N/c1-13-7-8-15(11-14(13)2)12-16(18)17(3)9-5-4-6-10-17/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3
InChIKeyMRSIXAMUFNCFFN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.14
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine

2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827638) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827638
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2(C)CCCCC2)cc1C
InChIInChI=1S/C17H27N/c1-13-7-8-15(11-14(13)2)12-16(18)17(3)9-5-4-6-10-17/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3
InChIKeyMRSIXAMUFNCFFN-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
2-(4-ethylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115802920
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
CID 130553721
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine (CID 106827638) is 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine is Cc1ccc(CC(N)C2(C)CCCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is MRSIXAMUFNCFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-7-8-15(11-14(13)2)12-16(18)17(3)9-5-4-6-10-17/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine?
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).