(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride

C11H17ClFN — CID 171218667

IUPAC(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@H](N)c1cccc(F)c1.Cl
InChIInChI=1S/C11H16FN.ClH/c1-8(2)6-11(13)9-4-3-5-10(12)7-9;/h3-5,7-8,11H,6,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyIFAAAXVGRWTJBO-MERQFXBCSA-N
MW217.72 g/mol
LogP3.29
Rot. Bonds3

About (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride

(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171218667) has the molecular formula C11H17ClFN and a molecular weight of 217.72 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171218667
Molecular FormulaC11H17ClFN
Molecular Weight217.72 g/mol
Exact Mass217.10
IUPAC Name(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@H](N)c1cccc(F)c1.Cl
InChIInChI=1S/C11H16FN.ClH/c1-8(2)6-11(13)9-4-3-5-10(12)7-9;/h3-5,7-8,11H,6,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyIFAAAXVGRWTJBO-MERQFXBCSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride (CID 171218667) is (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@H](N)c1cccc(F)c1.Cl.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is IFAAAXVGRWTJBO-MERQFXBCSA-N. The full InChI is InChI=1S/C11H16FN.ClH/c1-8(2)6-11(13)9-4-3-5-10(12)7-9;/h3-5,7-8,11H,6,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171218667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).