N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

C20H31N — CID 81034644

IUPACN-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H31N/c1-4-16-6-8-18(13-21-19-9-10-19)20(12-16)17-7-5-14(2)15(3)11-17/h5,7,11,16,18-21H,4,6,8-10,12-13H2,1-3H3
InChIKeyPFUBIYPRWNFWTJ-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.97
Rot. Bonds5

About N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81034644) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID81034644
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H31N/c1-4-16-6-8-18(13-21-19-9-10-19)20(12-16)17-7-5-14(2)15(3)11-17/h5,7,11,16,18-21H,4,6,8-10,12-13H2,1-3H3
InChIKeyPFUBIYPRWNFWTJ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
N-[[3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
CID 114229729
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 81034644) is N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2ccc(C)c(C)c2)C1.
What is the InChIKey of N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is PFUBIYPRWNFWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-16-6-8-18(13-21-19-9-10-19)20(12-16)17-7-5-14(2)15(3)11-17/h5,7,11,16,18-21H,4,6,8-10,12-13H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).