1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine

C13H14BrN3 — CID 170894582

IUPAC1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESNCC(N)c1cnccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3/c14-10-3-1-9(2-4-10)11-5-6-17-8-12(11)13(16)7-15/h1-6,8,13H,7,15-16H2
InChIKeyFMZCIOMDXNUPLX-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.47
Rot. Bonds3

About 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine

1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine (PubChem CID 170894582) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine
PubChem CID170894582
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESNCC(N)c1cnccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3/c14-10-3-1-9(2-4-10)11-5-6-17-8-12(11)13(16)7-15/h1-6,8,13H,7,15-16H2
InChIKeyFMZCIOMDXNUPLX-UHFFFAOYSA-N
XLogP2.47
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102707963
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
CID 130713108
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
CID 165346016
1-[4-(4-bromophenyl)-3-pyridinyl]but-3-en-2-one
CID 67851022
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine
CID 68568288
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-N-[5-(4-bromophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974242
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
CID 55293108
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine (CID 170894582) is 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine is NCC(N)c1cnccc1-c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is FMZCIOMDXNUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-10-3-1-9(2-4-10)11-5-6-17-8-12(11)13(16)7-15/h1-6,8,13H,7,15-16H2.
What are the key properties of 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine?
1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 292.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 170894582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).