4-amino-1-(2-chlorophenyl)pentan-3-ol

C11H16ClNO — CID 83924263

IUPAC4-amino-1-(2-chlorophenyl)pentan-3-ol
SMILESCC(N)C(O)CCc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(13)11(14)7-6-9-4-2-3-5-10(9)12/h2-5,8,11,14H,6-7,13H2,1H3
InChIKeyWSZDRXBOBUETMN-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-1-(2-chlorophenyl)pentan-3-ol

4-amino-1-(2-chlorophenyl)pentan-3-ol (PubChem CID 83924263) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-amino-1-(2-chlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2-chlorophenyl)pentan-3-ol
PubChem CID83924263
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-amino-1-(2-chlorophenyl)pentan-3-ol
SMILESCC(N)C(O)CCc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8(13)11(14)7-6-9-4-2-3-5-10(9)12/h2-5,8,11,14H,6-7,13H2,1H3
InChIKeyWSZDRXBOBUETMN-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
6-(2-chlorophenyl)-2-methylhexan-3-ol
CID 64516556
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
[3-(2-chlorophenyl)-1-hydroxypropyl] methanesulfonate
CID 22562330
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chlorophenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(2-chlorophenyl)pentan-3-ol (CID 83924263) is 4-amino-1-(2-chlorophenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(2-chlorophenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(2-chlorophenyl)pentan-3-ol is CC(N)C(O)CCc1ccccc1Cl.
What is the InChIKey of 4-amino-1-(2-chlorophenyl)pentan-3-ol?
The InChIKey is WSZDRXBOBUETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(13)11(14)7-6-9-4-2-3-5-10(9)12/h2-5,8,11,14H,6-7,13H2,1H3.
What are the key properties of 4-amino-1-(2-chlorophenyl)pentan-3-ol?
4-amino-1-(2-chlorophenyl)pentan-3-ol has a molecular weight of 213.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chlorophenyl)pentan-3-ol is sourced from PubChem (CID 83924263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).