(4-butan-2-ylphenyl)azanium chloride

C10H16ClN — CID 91157612

IUPAC(4-butan-2-ylphenyl)azanium chloride
SMILESCCC(C)c1ccc([NH3+])cc1.[Cl-]
InChIInChI=1S/C10H15N.ClH/c1-3-8(2)9-4-6-10(11)7-5-9;/h4-8H,3,11H2,1-2H3;1H
InChIKeyWWHHASGNCGKXSP-UHFFFAOYSA-N
MW185.70 g/mol
LogP-0.92
Rot. Bonds2

About (4-butan-2-ylphenyl)azanium chloride

(4-butan-2-ylphenyl)azanium chloride (PubChem CID 91157612) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)azanium chloride.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)azanium chloride
PubChem CID91157612
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(4-butan-2-ylphenyl)azanium chloride
SMILESCCC(C)c1ccc([NH3+])cc1.[Cl-]
InChIInChI=1S/C10H15N.ClH/c1-3-8(2)9-4-6-10(11)7-5-9;/h4-8H,3,11H2,1-2H3;1H
InChIKeyWWHHASGNCGKXSP-UHFFFAOYSA-N
XLogP-0.92
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
4-butan-2-yl-N-methylaniline
CID 22675641
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
(4-butan-2-ylphenyl)-trimethylazanium;methane
CID 158922564
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-butan-2-yl-4-(1-chloro-2-methylbutyl)benzene
CID 63430333
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)azanium chloride?
The IUPAC name of (4-butan-2-ylphenyl)azanium chloride (CID 91157612) is (4-butan-2-ylphenyl)azanium chloride.
What is the SMILES notation for (4-butan-2-ylphenyl)azanium chloride?
The canonical SMILES for (4-butan-2-ylphenyl)azanium chloride is CCC(C)c1ccc([NH3+])cc1.[Cl-].
What is the InChIKey of (4-butan-2-ylphenyl)azanium chloride?
The InChIKey is WWHHASGNCGKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-3-8(2)9-4-6-10(11)7-5-9;/h4-8H,3,11H2,1-2H3;1H.
What are the key properties of (4-butan-2-ylphenyl)azanium chloride?
(4-butan-2-ylphenyl)azanium chloride has a molecular weight of 185.70 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)azanium chloride is sourced from PubChem (CID 91157612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).