4-(4-bromophenyl)but-1-ene-2,3-diamine

C10H13BrN2 — CID 139569108

IUPAC4-(4-bromophenyl)but-1-ene-2,3-diamine
SMILESC=C(N)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2/c1-7(12)10(13)6-8-2-4-9(11)5-3-8/h2-5,10H,1,6,12-13H2
InChIKeyPJBFNRZHYUOWPX-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.79
Rot. Bonds3

About 4-(4-bromophenyl)but-1-ene-2,3-diamine

4-(4-bromophenyl)but-1-ene-2,3-diamine (PubChem CID 139569108) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)but-1-ene-2,3-diamine.

Molecular Properties

Compound Name4-(4-bromophenyl)but-1-ene-2,3-diamine
PubChem CID139569108
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name4-(4-bromophenyl)but-1-ene-2,3-diamine
SMILESC=C(N)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2/c1-7(12)10(13)6-8-2-4-9(11)5-3-8/h2-5,10H,1,6,12-13H2
InChIKeyPJBFNRZHYUOWPX-UHFFFAOYSA-N
XLogP1.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)but-1-ene-2,3-diamine?
The IUPAC name of 4-(4-bromophenyl)but-1-ene-2,3-diamine (CID 139569108) is 4-(4-bromophenyl)but-1-ene-2,3-diamine.
What is the SMILES notation for 4-(4-bromophenyl)but-1-ene-2,3-diamine?
The canonical SMILES for 4-(4-bromophenyl)but-1-ene-2,3-diamine is C=C(N)C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)but-1-ene-2,3-diamine?
The InChIKey is PJBFNRZHYUOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7(12)10(13)6-8-2-4-9(11)5-3-8/h2-5,10H,1,6,12-13H2.
What are the key properties of 4-(4-bromophenyl)but-1-ene-2,3-diamine?
4-(4-bromophenyl)but-1-ene-2,3-diamine has a molecular weight of 241.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)but-1-ene-2,3-diamine is sourced from PubChem (CID 139569108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).