(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride

C11H16Cl2FN — CID 171204622

IUPAC(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1cc(F)ccc1Cl.Cl
InChIInChI=1S/C11H15ClFN.ClH/c1-7(2)5-11(14)9-6-8(13)3-4-10(9)12;/h3-4,6-7,11H,5,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyVHTAKEKWQWFNJD-RFVHGSKJSA-N
MW252.16 g/mol
LogP3.95
Rot. Bonds3

About (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171204622) has the molecular formula C11H16Cl2FN and a molecular weight of 252.16 g/mol. Its IUPAC name is (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171204622
Molecular FormulaC11H16Cl2FN
Molecular Weight252.16 g/mol
Exact Mass251.06
IUPAC Name(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1cc(F)ccc1Cl.Cl
InChIInChI=1S/C11H15ClFN.ClH/c1-7(2)5-11(14)9-6-8(13)3-4-10(9)12;/h3-4,6-7,11H,5,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyVHTAKEKWQWFNJD-RFVHGSKJSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
CID 105397495
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188
(1S)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171235268
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride (CID 171204622) is (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1cc(F)ccc1Cl.Cl.
What is the InChIKey of (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is VHTAKEKWQWFNJD-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15ClFN.ClH/c1-7(2)5-11(14)9-6-8(13)3-4-10(9)12;/h3-4,6-7,11H,5,14H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 252.16 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171204622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).