3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine

C14H14BrClN2 — CID 114835697

IUPAC3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
SMILESClc1cnc(NCCCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrClN2/c15-13-9-12(16)10-18-14(13)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,18)
InChIKeyKLWFKDJJQTVYNS-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.54
Rot. Bonds5

About 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine

3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine (PubChem CID 114835697) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
PubChem CID114835697
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
SMILESClc1cnc(NCCCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrClN2/c15-13-9-12(16)10-18-14(13)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,18)
InChIKeyKLWFKDJJQTVYNS-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.54
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-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine (CID 114835697) is 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine is Clc1cnc(NCCCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The InChIKey is KLWFKDJJQTVYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c15-13-9-12(16)10-18-14(13)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 114835697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).