[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine

C16H20N2O — CID 106908300

IUPAC[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCCc1ccc(OCc2cccc(CN)n2)cc1
InChIInChI=1S/C16H20N2O/c1-2-4-13-7-9-16(10-8-13)19-12-15-6-3-5-14(11-17)18-15/h3,5-10H,2,4,11-12,17H2,1H3
InChIKeyHSMWELUTSAGECY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds6

About [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine

[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908300) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908300
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCCc1ccc(OCc2cccc(CN)n2)cc1
InChIInChI=1S/C16H20N2O/c1-2-4-13-7-9-16(10-8-13)19-12-15-6-3-5-14(11-17)18-15/h3,5-10H,2,4,11-12,17H2,1H3
InChIKeyHSMWELUTSAGECY-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
1-[6-[(4-ethylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907968
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
CID 143472467
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-bromo-2-[(4-propylphenoxy)methyl]aniline
CID 63459217
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798

Frequently Asked Questions

What is the IUPAC name of [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine (CID 106908300) is [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine is CCCc1ccc(OCc2cccc(CN)n2)cc1.
What is the InChIKey of [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is HSMWELUTSAGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-4-13-7-9-16(10-8-13)19-12-15-6-3-5-14(11-17)18-15/h3,5-10H,2,4,11-12,17H2,1H3.
What are the key properties of [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).