1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine

C16H21NO — CID 55030737

IUPAC1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
SMILESC1=COC(CNC(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C16H21NO/c1-2-6-13(7-3-1)16(14-9-10-14)17-12-15-8-4-5-11-18-15/h1-3,5-7,11,14-17H,4,8-10,12H2
InChIKeyBELCPJNEVNDVGT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.42
Rot. Bonds5

About 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine

1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine (PubChem CID 55030737) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
PubChem CID55030737
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
SMILESC1=COC(CNC(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C16H21NO/c1-2-6-13(7-3-1)16(14-9-10-14)17-12-15-8-4-5-11-18-15/h1-3,5-7,11,14-17H,4,8-10,12H2
InChIKeyBELCPJNEVNDVGT-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine (CID 55030737) is 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine is C1=COC(CNC(c2ccccc2)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is BELCPJNEVNDVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-6-13(7-3-1)16(14-9-10-14)17-12-15-8-4-5-11-18-15/h1-3,5-7,11,14-17H,4,8-10,12H2.
What are the key properties of 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine?
1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 55030737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).