[3-(1-pyridin-3-ylethoxy)phenyl]methanamine

C14H16N2O — CID 82037282

IUPAC[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
SMILESCC(Oc1cccc(CN)c1)c1cccnc1
InChIInChI=1S/C14H16N2O/c1-11(13-5-3-7-16-10-13)17-14-6-2-4-12(8-14)9-15/h2-8,10-11H,9,15H2,1H3
InChIKeyNKCPGIYQXNLFJZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.68
Rot. Bonds4

About [3-(1-pyridin-3-ylethoxy)phenyl]methanamine

[3-(1-pyridin-3-ylethoxy)phenyl]methanamine (PubChem CID 82037282) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [3-(1-pyridin-3-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
PubChem CID82037282
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
SMILESCC(Oc1cccc(CN)c1)c1cccnc1
InChIInChI=1S/C14H16N2O/c1-11(13-5-3-7-16-10-13)17-14-6-2-4-12(8-14)9-15/h2-8,10-11H,9,15H2,1H3
InChIKeyNKCPGIYQXNLFJZ-UHFFFAOYSA-N
XLogP2.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-3-ylethoxy)aniline
CID 82036967
3-(1-pyridin-3-ylethoxy)benzaldehyde
CID 82037066
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-(chloromethyl)-3-(1-phenylethoxy)benzene
CID 175182456
[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477
3-[3-(aminomethyl)phenoxy]butanenitrile
CID 106485040
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
5-(1-pyridin-3-ylethoxy)naphthalen-1-amine
CID 82037866
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003

Frequently Asked Questions

What is the IUPAC name of [3-(1-pyridin-3-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-(1-pyridin-3-ylethoxy)phenyl]methanamine (CID 82037282) is [3-(1-pyridin-3-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(1-pyridin-3-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-(1-pyridin-3-ylethoxy)phenyl]methanamine is CC(Oc1cccc(CN)c1)c1cccnc1.
What is the InChIKey of [3-(1-pyridin-3-ylethoxy)phenyl]methanamine?
The InChIKey is NKCPGIYQXNLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(13-5-3-7-16-10-13)17-14-6-2-4-12(8-14)9-15/h2-8,10-11H,9,15H2,1H3.
What are the key properties of [3-(1-pyridin-3-ylethoxy)phenyl]methanamine?
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-pyridin-3-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 82037282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).