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

C13H19BrN2 — CID 117243579

IUPAC1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
SMILESNC(CNC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2
InChIKeyMAZZIJXBHWWBPB-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.98
Rot. Bonds4

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

1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine (PubChem CID 117243579) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
PubChem CID117243579
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
SMILESNC(CNC1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2
InChIKeyMAZZIJXBHWWBPB-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide
CID 81397344
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine (CID 117243579) is 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine is NC(CNC1CCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine?
The InChIKey is MAZZIJXBHWWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6,9,15H2.
What are the key properties of 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine?
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 117243579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).