1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine

C16H22N2O — CID 57105589

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine
SMILESCC=C(NOCc1ccccc1)C1=CCCN(C)C1
InChIInChI=1S/C16H22N2O/c1-3-16(15-10-7-11-18(2)12-15)17-19-13-14-8-5-4-6-9-14/h3-6,8-10,17H,7,11-13H2,1-2H3
InChIKeyFHVKDTQXJMVOHY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.87
Rot. Bonds5

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine (PubChem CID 57105589) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine
PubChem CID57105589
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine
SMILESCC=C(NOCc1ccccc1)C1=CCCN(C)C1
InChIInChI=1S/C16H22N2O/c1-3-16(15-10-7-11-18(2)12-15)17-19-13-14-8-5-4-6-9-14/h3-6,8-10,17H,7,11-13H2,1-2H3
InChIKeyFHVKDTQXJMVOHY-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenylmethoxyethanamine
CID 274251
N-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,6-tetrahydropyridin-4-amine
CID 90942447
N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
CID 130439660
N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134925778
N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
CID 134925894
N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine
CID 134926128
(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
CID 134926235
(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134926351
N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
CID 134926495
4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134926496
(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine
CID 134927041

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine (CID 57105589) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine is CC=C(NOCc1ccccc1)C1=CCCN(C)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine?
The InChIKey is FHVKDTQXJMVOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(15-10-7-11-18(2)12-15)17-19-13-14-8-5-4-6-9-14/h3-6,8-10,17H,7,11-13H2,1-2H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-phenylmethoxyprop-1-en-1-amine is sourced from PubChem (CID 57105589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).