N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine

C20H33N — CID 116546505

IUPACN-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
SMILESCCCc1cccc(C2CC(CC)CCC2CNCC)c1
InChIInChI=1S/C20H33N/c1-4-8-17-9-7-10-18(13-17)20-14-16(5-2)11-12-19(20)15-21-6-3/h7,9-10,13,16,19-21H,4-6,8,11-12,14-15H2,1-3H3
InChIKeyDZIMBNZVPAOAFU-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.16
Rot. Bonds7

About N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 116546505) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
PubChem CID116546505
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
SMILESCCCc1cccc(C2CC(CC)CCC2CNCC)c1
InChIInChI=1S/C20H33N/c1-4-8-17-9-7-10-18(13-17)20-14-16(5-2)11-12-19(20)15-21-6-3/h7,9-10,13,16,19-21H,4-6,8,11-12,14-15H2,1-3H3
InChIKeyDZIMBNZVPAOAFU-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
CID 116546370
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
2-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
CID 81010427

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine (CID 116546505) is N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine is CCCc1cccc(C2CC(CC)CCC2CNCC)c1.
What is the InChIKey of N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is DZIMBNZVPAOAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-8-17-9-7-10-18(13-17)20-14-16(5-2)11-12-19(20)15-21-6-3/h7,9-10,13,16,19-21H,4-6,8,11-12,14-15H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 116546505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).