1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine

C13H21BrN2 — CID 43265571

IUPAC1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-16(10(2)3)13(9-15)11-6-5-7-12(14)8-11/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyMMFVEKLVCSSZNY-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.18
Rot. Bonds5

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

1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 43265571) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID43265571
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-16(10(2)3)13(9-15)11-6-5-7-12(14)8-11/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyMMFVEKLVCSSZNY-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 81436418
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
3-[1-(3-bromophenyl)propyl-ethylamino]butanoic acid
CID 114079264
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(3-bromophenyl)ethanamine;ethane
CID 142874111

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine (CID 43265571) is 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(C(C)C)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is MMFVEKLVCSSZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-16(10(2)3)13(9-15)11-6-5-7-12(14)8-11/h5-8,10,13H,4,9,15H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine?
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43265571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).