1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine

C15H17BrN2 — CID 14750815

IUPAC1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
SMILESNC(CCCc1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2/c16-14-8-6-13(7-9-14)15(17)5-1-3-12-4-2-10-18-11-12/h2,4,6-11,15H,1,3,5,17H2
InChIKeyOHXRQNYRJNJTIL-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine

1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine (PubChem CID 14750815) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
PubChem CID14750815
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
SMILESNC(CCCc1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2/c16-14-8-6-13(7-9-14)15(17)5-1-3-12-4-2-10-18-11-12/h2,4,6-11,15H,1,3,5,17H2
InChIKeyOHXRQNYRJNJTIL-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
3-(4-bromoheptyl)pyridine
CID 104737066
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
3-(5-methylhexyl)pyridine
CID 54316004
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
3-[3-(2-bromo-4-propan-2-ylphenoxy)propyl]pyridine
CID 642852
1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105176210

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine (CID 14750815) is 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine is NC(CCCc1cccnc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine?
The InChIKey is OHXRQNYRJNJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-14-8-6-13(7-9-14)15(17)5-1-3-12-4-2-10-18-11-12/h2,4,6-11,15H,1,3,5,17H2.
What are the key properties of 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine?
1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 14750815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).