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

C13H20ClNO2 — CID 113495705

IUPAC3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
SMILESCCC(CCO)NCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-2-10(7-8-16)15-9-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,15-17H,2,7-9H2,1H3
InChIKeyFFHMAHRGFHJYGN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.12
Rot. Bonds7

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

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol (PubChem CID 113495705) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
PubChem CID113495705
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
SMILESCCC(CCO)NCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-2-10(7-8-16)15-9-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,15-17H,2,7-9H2,1H3
InChIKeyFFHMAHRGFHJYGN-UHFFFAOYSA-N
XLogP2.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2-chlorophenyl)-2-(hex-1-yn-3-ylamino)ethanol
CID 114161254
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63502805

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol?
The IUPAC name of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol (CID 113495705) is 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol is CCC(CCO)NCC(O)c1ccccc1Cl.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol?
The InChIKey is FFHMAHRGFHJYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-2-10(7-8-16)15-9-13(17)11-5-3-4-6-12(11)14/h3-6,10,13,15-17H,2,7-9H2,1H3.
What are the key properties of 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol?
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.12, 7 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]pentan-1-ol is sourced from PubChem (CID 113495705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).