1-(3-fluorophenyl)butan-1-amine;hydrochloride

C10H15ClFN — CID 86262882

IUPAC1-(3-fluorophenyl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1cccc(F)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-2-4-10(12)8-5-3-6-9(11)7-8;/h3,5-7,10H,2,4,12H2,1H3;1H
InChIKeyPJACYMKJBXMKIA-UHFFFAOYSA-N
MW203.69 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-fluorophenyl)butan-1-amine;hydrochloride

1-(3-fluorophenyl)butan-1-amine;hydrochloride (PubChem CID 86262882) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is 1-(3-fluorophenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)butan-1-amine;hydrochloride
PubChem CID86262882
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name1-(3-fluorophenyl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1cccc(F)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-2-4-10(12)8-5-3-6-9(11)7-8;/h3,5-7,10H,2,4,12H2,1H3;1H
InChIKeyPJACYMKJBXMKIA-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)butan-1-amine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)butan-1-amine;hydrochloride (CID 86262882) is 1-(3-fluorophenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)butan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)butan-1-amine;hydrochloride is CCCC(N)c1cccc(F)c1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)butan-1-amine;hydrochloride?
The InChIKey is PJACYMKJBXMKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.ClH/c1-2-4-10(12)8-5-3-6-9(11)7-8;/h3,5-7,10H,2,4,12H2,1H3;1H.
What are the key properties of 1-(3-fluorophenyl)butan-1-amine;hydrochloride?
1-(3-fluorophenyl)butan-1-amine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 86262882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).