3-[(2-cyclohexylethylamino)methyl]-N-methylaniline

C16H26N2 — CID 115212292

IUPAC3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-17-16-9-5-8-15(12-16)13-18-11-10-14-6-3-2-4-7-14/h5,8-9,12,14,17-18H,2-4,6-7,10-11,13H2,1H3
InChIKeyBPTJTDAUVUOVHH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.79
Rot. Bonds6

About 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline

3-[(2-cyclohexylethylamino)methyl]-N-methylaniline (PubChem CID 115212292) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
PubChem CID115212292
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCCC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-17-16-9-5-8-15(12-16)13-18-11-10-14-6-3-2-4-7-14/h5,8-9,12,14,17-18H,2-4,6-7,10-11,13H2,1H3
InChIKeyBPTJTDAUVUOVHH-UHFFFAOYSA-N
XLogP3.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
CID 60732590
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
CID 63448419
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline (CID 115212292) is 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline is CNc1cccc(CNCCC2CCCCC2)c1.
What is the InChIKey of 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline?
The InChIKey is BPTJTDAUVUOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-16-9-5-8-15(12-16)13-18-11-10-14-6-3-2-4-7-14/h5,8-9,12,14,17-18H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline?
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 115212292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).