2-N-(2-bromophenyl)pentane-1,2-diamine

C11H17BrN2 — CID 65385114

IUPAC2-N-(2-bromophenyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccccc1Br
InChIInChI=1S/C11H17BrN2/c1-2-5-9(8-13)14-11-7-4-3-6-10(11)12/h3-4,6-7,9,14H,2,5,8,13H2,1H3
InChIKeyDGGVPVMVPCEANL-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.99
Rot. Bonds5

About 2-N-(2-bromophenyl)pentane-1,2-diamine

2-N-(2-bromophenyl)pentane-1,2-diamine (PubChem CID 65385114) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)pentane-1,2-diamine
PubChem CID65385114
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-N-(2-bromophenyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccccc1Br
InChIInChI=1S/C11H17BrN2/c1-2-5-9(8-13)14-11-7-4-3-6-10(11)12/h3-4,6-7,9,14H,2,5,8,13H2,1H3
InChIKeyDGGVPVMVPCEANL-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
2-(2-bromoanilino)octan-1-ol
CID 61050635
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
2-N-(5-bromoisoquinolin-1-yl)pentane-1,2-diamine
CID 106540738
2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
2-bromo-N-butan-2-ylaniline
CID 43194515
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-chloro-N-heptan-4-ylaniline
CID 29274819

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(2-bromophenyl)pentane-1,2-diamine (CID 65385114) is 2-N-(2-bromophenyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)pentane-1,2-diamine is CCCC(CN)Nc1ccccc1Br.
What is the InChIKey of 2-N-(2-bromophenyl)pentane-1,2-diamine?
The InChIKey is DGGVPVMVPCEANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-5-9(8-13)14-11-7-4-3-6-10(11)12/h3-4,6-7,9,14H,2,5,8,13H2,1H3.
What are the key properties of 2-N-(2-bromophenyl)pentane-1,2-diamine?
2-N-(2-bromophenyl)pentane-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)pentane-1,2-diamine is sourced from PubChem (CID 65385114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).