1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine

C12H19BrN2 — CID 116934538

IUPAC1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-12(2,6-7-14)11(15)9-4-3-5-10(13)8-9/h3-5,8,11H,6-7,14-15H2,1-2H3
InChIKeyLUMLOWZMJHEPMG-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine

1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 116934538) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID116934538
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-12(2,6-7-14)11(15)9-4-3-5-10(13)8-9/h3-5,8,11H,6-7,14-15H2,1-2H3
InChIKeyLUMLOWZMJHEPMG-UHFFFAOYSA-N
XLogP2.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
4-(3-bromophenyl)pentan-2-amine
CID 83912731
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine (CID 116934538) is 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)C(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is LUMLOWZMJHEPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-12(2,6-7-14)11(15)9-4-3-5-10(13)8-9/h3-5,8,11H,6-7,14-15H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine?
1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116934538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).