N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine

C20H24N2O — CID 19012926

IUPACN-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
SMILESC=C1CNC(c2ccccc2)C(NCc2ccccc2OC)C1
InChIInChI=1S/C20H24N2O/c1-15-12-18(20(22-13-15)16-8-4-3-5-9-16)21-14-17-10-6-7-11-19(17)23-2/h3-11,18,20-22H,1,12-14H2,2H3
InChIKeyFAMZTGDUIQZYKJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine

N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine (PubChem CID 19012926) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
PubChem CID19012926
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
SMILESC=C1CNC(c2ccccc2)C(NCc2ccccc2OC)C1
InChIInChI=1S/C20H24N2O/c1-15-12-18(20(22-13-15)16-8-4-3-5-9-16)21-14-17-10-6-7-11-19(17)23-2/h3-11,18,20-22H,1,12-14H2,2H3
InChIKeyFAMZTGDUIQZYKJ-UHFFFAOYSA-N
XLogP3.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 23176521
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine (CID 19012926) is N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine is C=C1CNC(c2ccccc2)C(NCc2ccccc2OC)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine?
The InChIKey is FAMZTGDUIQZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-12-18(20(22-13-15)16-8-4-3-5-9-16)21-14-17-10-6-7-11-19(17)23-2/h3-11,18,20-22H,1,12-14H2,2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine?
N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine is sourced from PubChem (CID 19012926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).