1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine

C14H21BrN2 — CID 113478752

IUPAC1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14,17H,1,3-4,7-8,10,16H2
InChIKeyQEKUPOOAJPIFLO-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine

1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine (PubChem CID 113478752) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
PubChem CID113478752
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14,17H,1,3-4,7-8,10,16H2
InChIKeyQEKUPOOAJPIFLO-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylethyl)-1-[3-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115526938
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
2-(3-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200135
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 113424548
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 113328418
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113478720
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine (CID 113478752) is 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine is NCC(NCCC1CCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The InChIKey is QEKUPOOAJPIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-13-6-2-5-12(9-13)14(10-16)17-8-7-11-3-1-4-11/h2,5-6,9,11,14,17H,1,3-4,7-8,10,16H2.
What are the key properties of 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine is sourced from PubChem (CID 113478752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).