1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine

C13H18BrClN2 — CID 114076857

IUPAC1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H18BrClN2/c14-10-3-4-12(15)11(7-10)13(8-16)17-6-5-9-1-2-9/h3-4,7,9,13,17H,1-2,5-6,8,16H2
InChIKeyRAQFJZJJODCDHV-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.49
Rot. Bonds6

About 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine

1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine (PubChem CID 114076857) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
PubChem CID114076857
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H18BrClN2/c14-10-3-4-12(15)11(7-10)13(8-16)17-6-5-9-1-2-9/h3-4,7,9,13,17H,1-2,5-6,8,16H2
InChIKeyRAQFJZJJODCDHV-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114076876
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 115959558
[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360089
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596
N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 79982386
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
4-[[2-amino-1-(4-bromo-2-chlorophenyl)ethyl]amino]butan-1-ol
CID 106841390
N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 113328418
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
N-(2-cyclopropylethyl)-1-[3-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115526938
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine (CID 114076857) is 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine is NCC(NCCC1CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The InChIKey is RAQFJZJJODCDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c14-10-3-4-12(15)11(7-10)13(8-16)17-6-5-9-1-2-9/h3-4,7,9,13,17H,1-2,5-6,8,16H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine has a molecular weight of 317.66 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine is sourced from PubChem (CID 114076857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).