4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine

C15H17BrN2 — CID 70611529

IUPAC4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCC(N)CC(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-11(17)9-15(13-3-2-8-18-10-13)12-4-6-14(16)7-5-12/h2-8,10-11,15H,9,17H2,1H3
InChIKeyGQLUZSYGTDDNIG-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.71
Rot. Bonds4

About 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine

4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 70611529) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine
PubChem CID70611529
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine
SMILESCC(N)CC(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-11(17)9-15(13-3-2-8-18-10-13)12-4-6-14(16)7-5-12/h2-8,10-11,15H,9,17H2,1H3
InChIKeyGQLUZSYGTDDNIG-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
3-[(1R)-1-phenylethyl]pyridine
CID 13287121

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine (CID 70611529) is 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine is CC(N)CC(c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is GQLUZSYGTDDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(17)9-15(13-3-2-8-18-10-13)12-4-6-14(16)7-5-12/h2-8,10-11,15H,9,17H2,1H3.
What are the key properties of 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine?
4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine has a molecular weight of 305.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 70611529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).