[3-(4-butylphenoxy)-4-pyridinyl]methanamine

C16H20N2O — CID 115492198

IUPAC[3-(4-butylphenoxy)-4-pyridinyl]methanamine
SMILESCCCCc1ccc(Oc2cnccc2CN)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-13-5-7-15(8-6-13)19-16-12-18-10-9-14(16)11-17/h5-10,12H,2-4,11,17H2,1H3
InChIKeyNTLBLGNDCBLNFP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.68
Rot. Bonds6

About [3-(4-butylphenoxy)-4-pyridinyl]methanamine

[3-(4-butylphenoxy)-4-pyridinyl]methanamine (PubChem CID 115492198) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [3-(4-butylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(4-butylphenoxy)-4-pyridinyl]methanamine
PubChem CID115492198
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[3-(4-butylphenoxy)-4-pyridinyl]methanamine
SMILESCCCCc1ccc(Oc2cnccc2CN)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-13-5-7-15(8-6-13)19-16-12-18-10-9-14(16)11-17/h5-10,12H,2-4,11,17H2,1H3
InChIKeyNTLBLGNDCBLNFP-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentyl-3-phenoxypyridine
CID 173046751
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
CID 80507890
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
CID 106596412
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
O-(4-butylphenyl)hydroxylamine
CID 176620577

Frequently Asked Questions

What is the IUPAC name of [3-(4-butylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-(4-butylphenoxy)-4-pyridinyl]methanamine (CID 115492198) is [3-(4-butylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(4-butylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-(4-butylphenoxy)-4-pyridinyl]methanamine is CCCCc1ccc(Oc2cnccc2CN)cc1.
What is the InChIKey of [3-(4-butylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is NTLBLGNDCBLNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-3-4-13-5-7-15(8-6-13)19-16-12-18-10-9-14(16)11-17/h5-10,12H,2-4,11,17H2,1H3.
What are the key properties of [3-(4-butylphenoxy)-4-pyridinyl]methanamine?
[3-(4-butylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 115492198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).