2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol

C11H15ClFNO — CID 83925228

IUPAC2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol
SMILESNCC(CO)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c12-10-2-1-3-11(13)9(10)5-4-8(6-14)7-15/h1-3,8,15H,4-7,14H2
InChIKeyFEAWOYZFYSUULT-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.98
Rot. Bonds5

About 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol

2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol (PubChem CID 83925228) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol
PubChem CID83925228
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol
SMILESNCC(CO)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c12-10-2-1-3-11(13)9(10)5-4-8(6-14)7-15/h1-3,8,15H,4-7,14H2
InChIKeyFEAWOYZFYSUULT-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
CID 82086344
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
CID 24722124
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
CID 62962230
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol (CID 83925228) is 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol is NCC(CO)CCc1c(F)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol?
The InChIKey is FEAWOYZFYSUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c12-10-2-1-3-11(13)9(10)5-4-8(6-14)7-15/h1-3,8,15H,4-7,14H2.
What are the key properties of 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol?
2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol is sourced from PubChem (CID 83925228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).