3-tert-butylaniline;hydrobromide

C10H16BrN — CID 155928054

IUPAC3-tert-butylaniline;hydrobromide
SMILESBr.CC(C)(C)c1cccc(N)c1
InChIInChI=1S/C10H15N.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,11H2,1-3H3;1H
InChIKeyGVQVNZNOPHAGNH-UHFFFAOYSA-N
MW230.15 g/mol
LogP3.14
Rot. Bonds

About 3-tert-butylaniline;hydrobromide

3-tert-butylaniline;hydrobromide (PubChem CID 155928054) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-tert-butylaniline;hydrobromide.

Molecular Properties

Compound Name3-tert-butylaniline;hydrobromide
PubChem CID155928054
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name3-tert-butylaniline;hydrobromide
SMILESBr.CC(C)(C)c1cccc(N)c1
InChIInChI=1S/C10H15N.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,11H2,1-3H3;1H
InChIKeyGVQVNZNOPHAGNH-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-tert-butylaniline;tert-butylbenzene
CID 158494400
(3-aminophenyl)methanetriamine
CID 175509279
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528
3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
alumane;1,3-ditert-butylbenzene
CID 174392215
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
bis(3-tert-butylphenyl)methanediamine
CID 141292033
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
CID 117048034
2-(3-aminophenyl)-4-methylpentan-2-ol
CID 89270411

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylaniline;hydrobromide?
The IUPAC name of 3-tert-butylaniline;hydrobromide (CID 155928054) is 3-tert-butylaniline;hydrobromide.
What is the SMILES notation for 3-tert-butylaniline;hydrobromide?
The canonical SMILES for 3-tert-butylaniline;hydrobromide is Br.CC(C)(C)c1cccc(N)c1.
What is the InChIKey of 3-tert-butylaniline;hydrobromide?
The InChIKey is GVQVNZNOPHAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,11H2,1-3H3;1H.
What are the key properties of 3-tert-butylaniline;hydrobromide?
3-tert-butylaniline;hydrobromide has a molecular weight of 230.15 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylaniline;hydrobromide is sourced from PubChem (CID 155928054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).