N-phenylmethoxy-3,4-dihydropyridin-5-amine

C12H14N2O — CID 57241534

IUPACN-phenylmethoxy-3,4-dihydropyridin-5-amine
SMILESC1=NC=C(NOCc2ccccc2)CC1
InChIInChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12/h1-3,5-6,8-9,14H,4,7,10H2
InChIKeyHNAWHDRZBLXSES-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.41
Rot. Bonds4

About N-phenylmethoxy-3,4-dihydropyridin-5-amine

N-phenylmethoxy-3,4-dihydropyridin-5-amine (PubChem CID 57241534) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-phenylmethoxy-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-phenylmethoxy-3,4-dihydropyridin-5-amine
PubChem CID57241534
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-phenylmethoxy-3,4-dihydropyridin-5-amine
SMILESC1=NC=C(NOCc2ccccc2)CC1
InChIInChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12/h1-3,5-6,8-9,14H,4,7,10H2
InChIKeyHNAWHDRZBLXSES-UHFFFAOYSA-N
XLogP2.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3,4-dihydropyridin-5-amine?
The IUPAC name of N-phenylmethoxy-3,4-dihydropyridin-5-amine (CID 57241534) is N-phenylmethoxy-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-phenylmethoxy-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-phenylmethoxy-3,4-dihydropyridin-5-amine is C1=NC=C(NOCc2ccccc2)CC1.
What is the InChIKey of N-phenylmethoxy-3,4-dihydropyridin-5-amine?
The InChIKey is HNAWHDRZBLXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12/h1-3,5-6,8-9,14H,4,7,10H2.
What are the key properties of N-phenylmethoxy-3,4-dihydropyridin-5-amine?
N-phenylmethoxy-3,4-dihydropyridin-5-amine has a molecular weight of 202.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 57241534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).