1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol

C16H23Cl2NO2 — CID 62551321

IUPAC1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
SMILESCC1CCCC(CO)(NCC(O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2NO2/c1-11-3-2-6-16(8-11,10-20)19-9-15(21)13-7-12(17)4-5-14(13)18/h4-5,7,11,15,19-21H,2-3,6,8-10H2,1H3
InChIKeyNGNHEXJOUINJJL-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol

1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol (PubChem CID 62551321) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
PubChem CID62551321
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
SMILESCC1CCCC(CO)(NCC(O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2NO2/c1-11-3-2-6-16(8-11,10-20)19-9-15(21)13-7-12(17)4-5-14(13)18/h4-5,7,11,15,19-21H,2-3,6,8-10H2,1H3
InChIKeyNGNHEXJOUINJJL-UHFFFAOYSA-N
XLogP3.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551674
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol (CID 62551321) is 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol is CC1CCCC(CO)(NCC(O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
The InChIKey is NGNHEXJOUINJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-11-3-2-6-16(8-11,10-20)19-9-15(21)13-7-12(17)4-5-14(13)18/h4-5,7,11,15,19-21H,2-3,6,8-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol?
1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol has a molecular weight of 332.27 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol is sourced from PubChem (CID 62551321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).