3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine

C15H17BrN2 — CID 106875522

IUPAC3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCc1ccnc(NCCCc2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2/c1-12-9-11-18-15(14(12)16)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,18)
InChIKeyMXOOGVSNXQCDTL-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.20
Rot. Bonds5

About 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine

3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine (PubChem CID 106875522) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
PubChem CID106875522
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
SMILESCc1ccnc(NCCCc2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2/c1-12-9-11-18-15(14(12)16)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,18)
InChIKeyMXOOGVSNXQCDTL-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 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 ≤ 54.20
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

4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
5-bromo-2-methyl-N-(3-phenylpropyl)aniline
CID 43729393

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine (CID 106875522) is 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine is Cc1ccnc(NCCCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine?
The InChIKey is MXOOGVSNXQCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-12-9-11-18-15(14(12)16)17-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine?
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine has a molecular weight of 305.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 106875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).