2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol

C16H25ClN2O — CID 62911690

IUPAC2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
SMILESCC(N)c1ccc(N(CCO)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-12(18)13-7-8-16(15(17)11-13)19(9-10-20)14-5-3-2-4-6-14/h7-8,11-12,14,20H,2-6,9-10,18H2,1H3
InChIKeyMNJMXTDCLKZMIO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol

2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol (PubChem CID 62911690) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
PubChem CID62911690
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
SMILESCC(N)c1ccc(N(CCO)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-12(18)13-7-8-16(15(17)11-13)19(9-10-20)14-5-3-2-4-6-14/h7-8,11-12,14,20H,2-6,9-10,18H2,1H3
InChIKeyMNJMXTDCLKZMIO-UHFFFAOYSA-N
XLogP3.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol?
The IUPAC name of 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol (CID 62911690) is 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol?
The canonical SMILES for 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol is CC(N)c1ccc(N(CCO)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol?
The InChIKey is MNJMXTDCLKZMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(18)13-7-8-16(15(17)11-13)19(9-10-20)14-5-3-2-4-6-14/h7-8,11-12,14,20H,2-6,9-10,18H2,1H3.
What are the key properties of 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol?
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol has a molecular weight of 296.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol is sourced from PubChem (CID 62911690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).