N-(2-cyclohexylethyl)-3-methylaniline

C15H23N — CID 20699944

IUPACN-(2-cyclohexylethyl)-3-methylaniline
SMILESCc1cccc(NCCC2CCCCC2)c1
InChIInChI=1S/C15H23N/c1-13-6-5-9-15(12-13)16-11-10-14-7-3-2-4-8-14/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3
InChIKeyUTLLURLUIXYILF-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.38
Rot. Bonds4

About N-(2-cyclohexylethyl)-3-methylaniline

N-(2-cyclohexylethyl)-3-methylaniline (PubChem CID 20699944) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-methylaniline
PubChem CID20699944
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(2-cyclohexylethyl)-3-methylaniline
SMILESCc1cccc(NCCC2CCCCC2)c1
InChIInChI=1S/C15H23N/c1-13-6-5-9-15(12-13)16-11-10-14-7-3-2-4-8-14/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3
InChIKeyUTLLURLUIXYILF-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclotridecylethyl)cyclodecapentaenamine
CID 167244550
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
CID 55223628
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-methylaniline?
The IUPAC name of N-(2-cyclohexylethyl)-3-methylaniline (CID 20699944) is N-(2-cyclohexylethyl)-3-methylaniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-methylaniline?
The canonical SMILES for N-(2-cyclohexylethyl)-3-methylaniline is Cc1cccc(NCCC2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-methylaniline?
The InChIKey is UTLLURLUIXYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13-6-5-9-15(12-13)16-11-10-14-7-3-2-4-8-14/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-3-methylaniline?
N-(2-cyclohexylethyl)-3-methylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-methylaniline is sourced from PubChem (CID 20699944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).