3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C13H21BrN2 — CID 79093309

IUPAC3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1ccccc1Br)CN(C)C
InChIInChI=1S/C13H21BrN2/c1-4-15-12(10-16(2)3)9-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyUQSORSWXMYARGQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.53
Rot. Bonds6

About 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79093309) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79093309
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1ccccc1Br)CN(C)C
InChIInChI=1S/C13H21BrN2/c1-4-15-12(10-16(2)3)9-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3
InChIKeyUQSORSWXMYARGQ-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 79093309) is 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCNC(Cc1ccccc1Br)CN(C)C.
What is the InChIKey of 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UQSORSWXMYARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-15-12(10-16(2)3)9-11-7-5-6-8-13(11)14/h5-8,12,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79093309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).