N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine

C13H19BrN2 — CID 65385964

IUPACN-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2
InChIKeyGUZGGWTYYPAALA-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.38
Rot. Bonds4

About N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine

N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine (PubChem CID 65385964) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
PubChem CID65385964
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2
InChIKeyGUZGGWTYYPAALA-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835319
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
2-(2-bromoanilino)-2-cyclohexylacetonitrile
CID 54886899
N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
CID 106738352
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
4-[(2-amino-1-cyclopropylethyl)amino]-3-bromobenzonitrile
CID 82808861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine (CID 65385964) is N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine is NCC(Nc1ccccc1Br)C1CCCC1.
What is the InChIKey of N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine?
The InChIKey is GUZGGWTYYPAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2.
What are the key properties of N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine?
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 65385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).