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

C14H20BrClN2 — CID 114076876

IUPAC1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C14H20BrClN2/c1-9(10-2-3-10)8-18-14(7-17)12-6-11(15)4-5-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3
InChIKeyAYLKOCGPBMQNBV-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.74
Rot. Bonds6

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

1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (PubChem CID 114076876) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
PubChem CID114076876
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C14H20BrClN2/c1-9(10-2-3-10)8-18-14(7-17)12-6-11(15)4-5-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3
InChIKeyAYLKOCGPBMQNBV-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857
1-(4-chloro-2-fluorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114843411
1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 113475113
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360089
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
1-(5-bromo-2-chlorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228356

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (CID 114076876) is 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine is CC(CNC(CN)c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The InChIKey is AYLKOCGPBMQNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-9(10-2-3-10)8-18-14(7-17)12-6-11(15)4-5-13(12)16/h4-6,9-10,14,18H,2-3,7-8,17H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine has a molecular weight of 331.69 g/mol, XLogP of 3.74, 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-cyclopropylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114076876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).