N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine

C16H18N2O — CID 79775593

IUPACN-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
SMILESCNCc1ccc(OCC=Cc2ccccc2)cn1
InChIInChI=1S/C16H18N2O/c1-17-12-15-9-10-16(13-18-15)19-11-5-8-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
InChIKeyGCRMNZINLNOTGB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.89
Rot. Bonds6

About N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine

N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine (PubChem CID 79775593) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
PubChem CID79775593
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
SMILESCNCc1ccc(OCC=Cc2ccccc2)cn1
InChIInChI=1S/C16H18N2O/c1-17-12-15-9-10-16(13-18-15)19-11-5-8-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
InChIKeyGCRMNZINLNOTGB-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
CID 77134322
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381579
2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
CID 115461345
1-[3,5-dibromo-4-[(E)-3-phenylprop-2-enoxy]phenyl]-N-methylmethanamine
CID 107741861
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-(5-but-3-enoxy-2-pyridinyl)-N-methylmethanamine
CID 79775770
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
CID 79776395
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 76938521
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016979

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine (CID 79775593) is N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine is CNCc1ccc(OCC=Cc2ccccc2)cn1.
What is the InChIKey of N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine?
The InChIKey is GCRMNZINLNOTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-12-15-9-10-16(13-18-15)19-11-5-8-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine?
N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 79775593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).