3-bromo-N-(3-phenylpropyl)pyridin-4-amine

C14H15BrN2 — CID 104776830

IUPAC3-bromo-N-(3-phenylpropyl)pyridin-4-amine
SMILESBrc1cnccc1NCCCc1ccccc1
InChIInChI=1S/C14H15BrN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17)
InChIKeyWVSLCOHJEOBCTL-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.89
Rot. Bonds5

About 3-bromo-N-(3-phenylpropyl)pyridin-4-amine

3-bromo-N-(3-phenylpropyl)pyridin-4-amine (PubChem CID 104776830) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-N-(3-phenylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(3-phenylpropyl)pyridin-4-amine
PubChem CID104776830
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-bromo-N-(3-phenylpropyl)pyridin-4-amine
SMILESBrc1cnccc1NCCCc1ccccc1
InChIInChI=1S/C14H15BrN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17)
InChIKeyWVSLCOHJEOBCTL-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
5-bromo-2-methyl-N-(3-phenylpropyl)aniline
CID 43729393
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
CID 104776803
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-phenylpropyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(3-phenylpropyl)pyridin-4-amine (CID 104776830) is 3-bromo-N-(3-phenylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(3-phenylpropyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(3-phenylpropyl)pyridin-4-amine is Brc1cnccc1NCCCc1ccccc1.
What is the InChIKey of 3-bromo-N-(3-phenylpropyl)pyridin-4-amine?
The InChIKey is WVSLCOHJEOBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,17).
What are the key properties of 3-bromo-N-(3-phenylpropyl)pyridin-4-amine?
3-bromo-N-(3-phenylpropyl)pyridin-4-amine has a molecular weight of 291.19 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-phenylpropyl)pyridin-4-amine is sourced from PubChem (CID 104776830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).