1-(2,3-dibromophenyl)-2-methylpropan-1-amine

C10H13Br2N — CID 130000512

IUPAC1-(2,3-dibromophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cccc(Br)c1Br
InChIInChI=1S/C10H13Br2N/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-6,10H,13H2,1-2H3
InChIKeyMABPEICHHNCALV-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.87
Rot. Bonds2

About 1-(2,3-dibromophenyl)-2-methylpropan-1-amine

1-(2,3-dibromophenyl)-2-methylpropan-1-amine (PubChem CID 130000512) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 1-(2,3-dibromophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dibromophenyl)-2-methylpropan-1-amine
PubChem CID130000512
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name1-(2,3-dibromophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cccc(Br)c1Br
InChIInChI=1S/C10H13Br2N/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-6,10H,13H2,1-2H3
InChIKeyMABPEICHHNCALV-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 131107919
(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 130740924
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
1-(2,6-dibromophenyl)propane-1,2-diamine
CID 20546210
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dibromophenyl)-2-methylpropan-1-amine (CID 130000512) is 1-(2,3-dibromophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dibromophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dibromophenyl)-2-methylpropan-1-amine is CC(C)C(N)c1cccc(Br)c1Br.
What is the InChIKey of 1-(2,3-dibromophenyl)-2-methylpropan-1-amine?
The InChIKey is MABPEICHHNCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-6,10H,13H2,1-2H3.
What are the key properties of 1-(2,3-dibromophenyl)-2-methylpropan-1-amine?
1-(2,3-dibromophenyl)-2-methylpropan-1-amine has a molecular weight of 307.03 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130000512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).