2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol

C15H23ClN2O — CID 62945689

IUPAC2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2O/c16-15-10-14(7-6-12(15)11-17)18(8-9-19)13-4-2-1-3-5-13/h6-7,10,13,19H,1-5,8-9,11,17H2
InChIKeyGNGJPIXHJRZQTB-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol

2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol (PubChem CID 62945689) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
PubChem CID62945689
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2O/c16-15-10-14(7-6-12(15)11-17)18(8-9-19)13-4-2-1-3-5-13/h6-7,10,13,19H,1-5,8-9,11,17H2
InChIKeyGNGJPIXHJRZQTB-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
CID 102859788
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-bromo-4-[cyclohexyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107277590
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol (CID 62945689) is 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol is NCc1ccc(N(CCO)C2CCCCC2)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol?
The InChIKey is GNGJPIXHJRZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c16-15-10-14(7-6-12(15)11-17)18(8-9-19)13-4-2-1-3-5-13/h6-7,10,13,19H,1-5,8-9,11,17H2.
What are the key properties of 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol?
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol is sourced from PubChem (CID 62945689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).