4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol

C10H13ClFNO — CID 114455000

IUPAC4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol
SMILESNCC(CCO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFNO/c11-9-3-8(4-10(12)5-9)7(6-13)1-2-14/h3-5,7,14H,1-2,6,13H2
InChIKeyOKDHTGDWRITEKJ-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.90
Rot. Bonds4

About 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol

4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol (PubChem CID 114455000) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol
PubChem CID114455000
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol
SMILESNCC(CCO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFNO/c11-9-3-8(4-10(12)5-9)7(6-13)1-2-14/h3-5,7,14H,1-2,6,13H2
InChIKeyOKDHTGDWRITEKJ-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204574
2-(aminomethyl)-1-(3-chloro-5-fluorophenyl)butan-1-ol
CID 114455038
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
1-(3-chloro-5-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616017
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 114453537
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol?
The IUPAC name of 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol (CID 114455000) is 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol is NCC(CCO)c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol?
The InChIKey is OKDHTGDWRITEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c11-9-3-8(4-10(12)5-9)7(6-13)1-2-14/h3-5,7,14H,1-2,6,13H2.
What are the key properties of 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol?
4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-chloro-5-fluorophenyl)butan-1-ol is sourced from PubChem (CID 114455000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).