1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

C20H33N — CID 105154585

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)C1CCC(C)C(C)C1
InChIInChI=1S/C20H33N/c1-5-21-20(19-11-10-15(2)17(4)14-19)13-12-18-9-7-6-8-16(18)3/h6-9,15,17,19-21H,5,10-14H2,1-4H3
InChIKeyZCMJEYAHIPMTBG-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.98
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 105154585) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
PubChem CID105154585
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)C1CCC(C)C(C)C1
InChIInChI=1S/C20H33N/c1-5-21-20(19-11-10-15(2)17(4)14-19)13-12-18-9-7-6-8-16(18)3/h6-9,15,17,19-21H,5,10-14H2,1-4H3
InChIKeyZCMJEYAHIPMTBG-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
[1-(4-methylcyclohexyl)-3-(2-methylphenyl)propyl]hydrazine
CID 105311763
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272541
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
CID 116660864
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (CID 105154585) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine is CCNC(CCc1ccccc1C)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is ZCMJEYAHIPMTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-21-20(19-11-10-15(2)17(4)14-19)13-12-18-9-7-6-8-16(18)3/h6-9,15,17,19-21H,5,10-14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).