3-methyl-N-(3-phenoxypropyl)pyridin-2-amine

C15H18N2O — CID 62379676

IUPAC3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
SMILESCc1cccnc1NCCCOc1ccccc1
InChIInChI=1S/C15H18N2O/c1-13-7-5-10-16-15(13)17-11-6-12-18-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H,16,17)
InChIKeyQSDDCKPIZVRCQS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.27
Rot. Bonds6

About 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine

3-methyl-N-(3-phenoxypropyl)pyridin-2-amine (PubChem CID 62379676) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
PubChem CID62379676
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
SMILESCc1cccnc1NCCCOc1ccccc1
InChIInChI=1S/C15H18N2O/c1-13-7-5-10-16-15(13)17-11-6-12-18-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H,16,17)
InChIKeyQSDDCKPIZVRCQS-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731310
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine?
The IUPAC name of 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine (CID 62379676) is 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine is Cc1cccnc1NCCCOc1ccccc1.
What is the InChIKey of 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine?
The InChIKey is QSDDCKPIZVRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-13-7-5-10-16-15(13)17-11-6-12-18-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine?
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenoxypropyl)pyridin-2-amine is sourced from PubChem (CID 62379676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).