N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine

C16H20N2O — CID 62467292

IUPACN-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine
SMILESCNc1cc(COCCCc2ccccc2)ccn1
InChIInChI=1S/C16H20N2O/c1-17-16-12-15(9-10-18-16)13-19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,17,18)
InChIKeyPPYQYPPKICDDRN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.27
Rot. Bonds7

About N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine

N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine (PubChem CID 62467292) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine
PubChem CID62467292
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine
SMILESCNc1cc(COCCCc2ccccc2)ccn1
InChIInChI=1S/C16H20N2O/c1-17-16-12-15(9-10-18-16)13-19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,17,18)
InChIKeyPPYQYPPKICDDRN-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
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-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206
4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine
CID 103405427
N-methyl-5-(2-phenylethoxymethyl)pyridin-2-amine
CID 114996967
4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine
CID 62468185
2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
2-[2-[[2-(methylamino)-4-pyridinyl]methoxy]phenyl]ethanol
CID 107714081
[4-(octoxymethyl)-2-pyridinyl]hydrazine
CID 62465557
[4-[2-(3-methoxypropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 103180662
4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
4-(cycloheptyloxymethyl)-N-methylpyridin-2-amine
CID 62464617
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine (CID 62467292) is N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine is CNc1cc(COCCCc2ccccc2)ccn1.
What is the InChIKey of N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine?
The InChIKey is PPYQYPPKICDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-16-12-15(9-10-18-16)13-19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,17,18).
What are the key properties of N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine?
N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62467292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).