3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine

C12H19BrN2 — CID 115134633

IUPAC3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1cccc(Br)c1)C(C)(C)CCN
InChIInChI=1S/C12H19BrN2/c1-12(2,7-8-14)15(3)11-6-4-5-10(13)9-11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyYQWGJCQYNQWMEO-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.01
Rot. Bonds4

About 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine

3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine (PubChem CID 115134633) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
PubChem CID115134633
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1cccc(Br)c1)C(C)(C)CCN
InChIInChI=1S/C12H19BrN2/c1-12(2,7-8-14)15(3)11-6-4-5-10(13)9-11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyYQWGJCQYNQWMEO-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132623
3-(3-bromo-N-methylanilino)-3-methylbutanoic acid
CID 117042384
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569
3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602
3-(3-bromophenyl)-3-phenylbutan-1-amine
CID 173451063
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934538
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine (CID 115134633) is 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine is CN(c1cccc(Br)c1)C(C)(C)CCN.
What is the InChIKey of 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The InChIKey is YQWGJCQYNQWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-12(2,7-8-14)15(3)11-6-4-5-10(13)9-11/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine?
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine has a molecular weight of 271.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115134633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).