(3-bromo-4-propan-2-ylphenyl)methanamine

C10H14BrN — CID 83840012

IUPAC(3-bromo-4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CN)cc1Br
InChIInChI=1S/C10H14BrN/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3
InChIKeyQZVCMYXMQGZSLZ-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.03
Rot. Bonds2

About (3-bromo-4-propan-2-ylphenyl)methanamine

(3-bromo-4-propan-2-ylphenyl)methanamine (PubChem CID 83840012) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (3-bromo-4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-propan-2-ylphenyl)methanamine
PubChem CID83840012
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(3-bromo-4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CN)cc1Br
InChIInChI=1S/C10H14BrN/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3
InChIKeyQZVCMYXMQGZSLZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
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[3-bromo-4-[(2-propan-2-ylphenoxy)methyl]phenyl]methanamine
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(3-bromo-4-ethylsulfanylphenyl)methanamine
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[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-bromo-4-(2-methylbutylsulfanyl)phenyl]methanamine
CID 107752055
[3-bromo-4-(2-methylpropoxymethyl)phenyl]methanamine
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CID 82810290

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propan-2-ylphenyl)methanamine?
The IUPAC name of (3-bromo-4-propan-2-ylphenyl)methanamine (CID 83840012) is (3-bromo-4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CN)cc1Br.
What is the InChIKey of (3-bromo-4-propan-2-ylphenyl)methanamine?
The InChIKey is QZVCMYXMQGZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of (3-bromo-4-propan-2-ylphenyl)methanamine?
(3-bromo-4-propan-2-ylphenyl)methanamine has a molecular weight of 228.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 83840012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).