[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine

C16H18N2O — CID 81253217

IUPAC[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
SMILESCc1cc(OC/C=C/c2ccccc2)c(CN)cn1
InChIInChI=1S/C16H18N2O/c1-13-10-16(15(11-17)12-18-13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10,12H,9,11,17H2,1H3/b8-5+
InChIKeyCZNNZIVPTSLNDT-VMPITWQZSA-N
MW254.33 g/mol
LogP2.94
Rot. Bonds5

About [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine

[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine (PubChem CID 81253217) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
PubChem CID81253217
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
SMILESCc1cc(OC/C=C/c2ccccc2)c(CN)cn1
InChIInChI=1S/C16H18N2O/c1-13-10-16(15(11-17)12-18-13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10,12H,9,11,17H2,1H3/b8-5+
InChIKeyCZNNZIVPTSLNDT-VMPITWQZSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 81253013
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 60904917
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 60890207
(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine (CID 81253217) is [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine is Cc1cc(OC/C=C/c2ccccc2)c(CN)cn1.
What is the InChIKey of [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine?
The InChIKey is CZNNZIVPTSLNDT-VMPITWQZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-10-16(15(11-17)12-18-13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10,12H,9,11,17H2,1H3/b8-5+.
What are the key properties of [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine?
[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 81253217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).