2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline

C16H25ClN2 — CID 55235233

IUPAC2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H25ClN2/c1-12-5-3-6-13(11-12)19(2)16-8-4-7-15(17)14(16)9-10-18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3
InChIKeyBGMRCNMLSKKWMJ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline

2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 55235233) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID55235233
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H25ClN2/c1-12-5-3-6-13(11-12)19(2)16-8-4-7-15(17)14(16)9-10-18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3
InChIKeyBGMRCNMLSKKWMJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 55079558
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
CID 114065952
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 115992447

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline (CID 55235233) is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(N(C)c2cccc(Cl)c2CCN)C1.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is BGMRCNMLSKKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-5-3-6-13(11-12)19(2)16-8-4-7-15(17)14(16)9-10-18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline?
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 280.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 55235233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).