N-(1-cyclohexylethyl)-2,4-dimethylaniline

C16H25N — CID 43755727

IUPACN-(1-cyclohexylethyl)-2,4-dimethylaniline
SMILESCc1ccc(NC(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h9-11,14-15,17H,4-8H2,1-3H3
InChIKeyCTCCJIHBSLUKSN-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.68
Rot. Bonds3

About N-(1-cyclohexylethyl)-2,4-dimethylaniline

N-(1-cyclohexylethyl)-2,4-dimethylaniline (PubChem CID 43755727) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2,4-dimethylaniline
PubChem CID43755727
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(1-cyclohexylethyl)-2,4-dimethylaniline
SMILESCc1ccc(NC(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h9-11,14-15,17H,4-8H2,1-3H3
InChIKeyCTCCJIHBSLUKSN-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
CID 43533362
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
CID 63479047
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2,4-dimethylaniline?
The IUPAC name of N-(1-cyclohexylethyl)-2,4-dimethylaniline (CID 43755727) is N-(1-cyclohexylethyl)-2,4-dimethylaniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2,4-dimethylaniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2,4-dimethylaniline is Cc1ccc(NC(C)C2CCCCC2)c(C)c1.
What is the InChIKey of N-(1-cyclohexylethyl)-2,4-dimethylaniline?
The InChIKey is CTCCJIHBSLUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h9-11,14-15,17H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-2,4-dimethylaniline?
N-(1-cyclohexylethyl)-2,4-dimethylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2,4-dimethylaniline is sourced from PubChem (CID 43755727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).