2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride

C11H17ClFNO — CID 17290154

IUPAC2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H
InChIKeyVEVBQGAVPYMYHV-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.11
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride

2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride (PubChem CID 17290154) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
PubChem CID17290154
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H
InChIKeyVEVBQGAVPYMYHV-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
CID 75530130
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716048

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride (CID 17290154) is 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccc(F)cc1.Cl.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is VEVBQGAVPYMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H.
What are the key properties of 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride?
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 17290154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).