3-methyl-3-phenylbutan-2-amine;hydrochloride

C11H18ClN — CID 24841347

IUPAC3-methyl-3-phenylbutan-2-amine;hydrochloride
SMILESCC(N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(12)11(2,3)10-7-5-4-6-8-10;/h4-9H,12H2,1-3H3;1H
InChIKeyFFKYFXGYUJIDAS-UHFFFAOYSA-N
MW199.73 g/mol
LogP2.73
Rot. Bonds2

About 3-methyl-3-phenylbutan-2-amine;hydrochloride

3-methyl-3-phenylbutan-2-amine;hydrochloride (PubChem CID 24841347) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is 3-methyl-3-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-phenylbutan-2-amine;hydrochloride
PubChem CID24841347
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC Name3-methyl-3-phenylbutan-2-amine;hydrochloride
SMILESCC(N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(12)11(2,3)10-7-5-4-6-8-10;/h4-9H,12H2,1-3H3;1H
InChIKeyFFKYFXGYUJIDAS-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-phenylbutane-2,3-diamine
CID 175403934
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
2-N,2-N,2-triphenylbutane-2,3-diamine
CID 67601655
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylbutan-2-amine;hydrochloride?
The IUPAC name of 3-methyl-3-phenylbutan-2-amine;hydrochloride (CID 24841347) is 3-methyl-3-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for 3-methyl-3-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for 3-methyl-3-phenylbutan-2-amine;hydrochloride is CC(N)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 3-methyl-3-phenylbutan-2-amine;hydrochloride?
The InChIKey is FFKYFXGYUJIDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-9(12)11(2,3)10-7-5-4-6-8-10;/h4-9H,12H2,1-3H3;1H.
What are the key properties of 3-methyl-3-phenylbutan-2-amine;hydrochloride?
3-methyl-3-phenylbutan-2-amine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 24841347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).