1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine

C16H23NO — CID 62384702

IUPAC1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(C(NCC2CCOCC2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2
InChIKeyTYBFBEVTEDMPGD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine

1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine (PubChem CID 62384702) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
PubChem CID62384702
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(C(NCC2CCOCC2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2
InChIKeyTYBFBEVTEDMPGD-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
CID 103911353
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
CID 55030737
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine (CID 62384702) is 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine is c1ccc(C(NCC2CCOCC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine?
The InChIKey is TYBFBEVTEDMPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2.
What are the key properties of 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine?
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 62384702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).