N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine

C20H33N — CID 81033727

IUPACN-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H33N/c1-5-7-17-9-10-18(14-21-6-2)20(13-17)19-11-8-15(3)12-16(19)4/h8,11-12,17-18,20-21H,5-7,9-10,13-14H2,1-4H3
InChIKeyMRLPCXNJLWXPLL-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.21
Rot. Bonds6

About N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81033727) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81033727
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H33N/c1-5-7-17-9-10-18(14-21-6-2)20(13-17)19-11-8-15(3)12-16(19)4/h8,11-12,17-18,20-21H,5-7,9-10,13-14H2,1-4H3
InChIKeyMRLPCXNJLWXPLL-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
N-(cyclopropylmethyl)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 135160107
N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 104516834
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine (CID 81033727) is N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(c2ccc(C)cc2C)C1.
What is the InChIKey of N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is MRLPCXNJLWXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-7-17-9-10-18(14-21-6-2)20(13-17)19-11-8-15(3)12-16(19)4/h8,11-12,17-18,20-21H,5-7,9-10,13-14H2,1-4H3.
What are the key properties of N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81033727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).