N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine

C16H22N2O — CID 71863695

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine
SMILESC1=C(CNC2CCN(c3ccccc3)C2)COCC1
InChIInChI=1S/C16H22N2O/c1-2-6-16(7-3-1)18-9-8-15(12-18)17-11-14-5-4-10-19-13-14/h1-3,5-7,15,17H,4,8-13H2
InChIKeyMJTWAXGYWUUFGU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.20
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine (PubChem CID 71863695) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine
PubChem CID71863695
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine
SMILESC1=C(CNC2CCN(c3ccccc3)C2)COCC1
InChIInChI=1S/C16H22N2O/c1-2-6-16(7-3-1)18-9-8-15(12-18)17-11-14-5-4-10-19-13-14/h1-3,5-7,15,17H,4,8-13H2
InChIKeyMJTWAXGYWUUFGU-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol
CID 122568409
1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 103792728
N-[[4-[1-(methylsulfanylamino)ethyl]phenyl]methyl]-1-phenylpyrrolidin-3-amine
CID 130461517
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine (CID 71863695) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine is C1=C(CNC2CCN(c3ccccc3)C2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine?
The InChIKey is MJTWAXGYWUUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-6-16(7-3-1)18-9-8-15(12-18)17-11-14-5-4-10-19-13-14/h1-3,5-7,15,17H,4,8-13H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 71863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).