N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine

C13H19BrN2 — CID 170695993

IUPACN'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-2-16(9-8-15)13(6-7-13)11-4-3-5-12(14)10-11/h3-5,10H,2,6-9,15H2,1H3
InChIKeyKHKJRVDSQJCQNI-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.72
Rot. Bonds5

About N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine

N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine (PubChem CID 170695993) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine
PubChem CID170695993
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-2-16(9-8-15)13(6-7-13)11-4-3-5-12(14)10-11/h3-5,10H,2,6-9,15H2,1H3
InChIKeyKHKJRVDSQJCQNI-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine (CID 170695993) is N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine is CCN(CCN)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine?
The InChIKey is KHKJRVDSQJCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-16(9-8-15)13(6-7-13)11-4-3-5-12(14)10-11/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine?
N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 170695993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).