3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol

C15H24ClNO2 — CID 106115231

IUPAC3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-2-5-12(8-9-18)10-17-11-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,17-19H,2,5,8-11H2,1H3
InChIKeySLXOGMVPVOSMHU-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.76
Rot. Bonds9

About 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol

3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol (PubChem CID 106115231) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
PubChem CID106115231
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO2/c1-2-5-12(8-9-18)10-17-11-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,17-19H,2,5,8-11H2,1H3
InChIKeySLXOGMVPVOSMHU-UHFFFAOYSA-N
XLogP2.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111503966
1-(2-chlorophenyl)-2-(hex-1-yn-3-ylamino)ethanol
CID 114161254
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)hexan-1-ol
CID 62606389

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol (CID 106115231) is 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol is CCCC(CCO)CNCC(O)c1ccccc1Cl.
What is the InChIKey of 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol?
The InChIKey is SLXOGMVPVOSMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-2-5-12(8-9-18)10-17-11-15(19)13-6-3-4-7-14(13)16/h3-4,6-7,12,15,17-19H,2,5,8-11H2,1H3.
What are the key properties of 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol?
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).