N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H24BrN3 — CID 63693386

IUPACN'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1ccccc1Br
InChIInChI=1S/C14H24BrN3/c1-17(2)9-6-10-18(3)14(11-16)12-7-4-5-8-13(12)15/h4-5,7-8,14H,6,9-11,16H2,1-3H3
InChIKeyYVWZSCYRJXWRSR-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.33
Rot. Bonds7

About N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63693386) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63693386
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC NameN'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C(CN)c1ccccc1Br
InChIInChI=1S/C14H24BrN3/c1-17(2)9-6-10-18(3)14(11-16)12-7-4-5-8-13(12)15/h4-5,7-8,14H,6,9-11,16H2,1-3H3
InChIKeyYVWZSCYRJXWRSR-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
CID 43294708
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79304236
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63693386) is N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)C(CN)c1ccccc1Br.
What is the InChIKey of N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is YVWZSCYRJXWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-17(2)9-6-10-18(3)14(11-16)12-7-4-5-8-13(12)15/h4-5,7-8,14H,6,9-11,16H2,1-3H3.
What are the key properties of N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 314.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63693386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).