2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine

C12H19BrN2 — CID 106345179

IUPAC2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-9(2)12(7-14)15-8-10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyQJFXABKZNQTLFQ-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.52
Rot. Bonds5

About 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine (PubChem CID 106345179) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
PubChem CID106345179
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-9(2)12(7-14)15-8-10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyQJFXABKZNQTLFQ-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-bromo-2-fluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345422
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
(3S)-3-[(2-bromophenyl)methylamino]-4-methylpentanoic acid
CID 69229098
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl 3-[(2-bromophenyl)methylamino]-2-methylbutanoate
CID 79392282
2-N-[(4-bromo-2-methoxyphenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345370
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine (CID 106345179) is 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine is CC(C)C(CN)NCc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine?
The InChIKey is QJFXABKZNQTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)12(7-14)15-8-10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).