1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine

C17H25NO — CID 103911353

IUPAC1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
SMILESCC1(CNC(c2ccccc2)C2CC2)CCOCC1
InChIInChI=1S/C17H25NO/c1-17(9-11-19-12-10-17)13-18-16(15-7-8-15)14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3
InChIKeyGXSREESDONMRPH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds5

About 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine (PubChem CID 103911353) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
PubChem CID103911353
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
SMILESCC1(CNC(c2ccccc2)C2CC2)CCOCC1
InChIInChI=1S/C17H25NO/c1-17(9-11-19-12-10-17)13-18-16(15-7-8-15)14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3
InChIKeyGXSREESDONMRPH-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103911347
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
CID 103903365
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 63316651

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine (CID 103911353) is 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine is CC1(CNC(c2ccccc2)C2CC2)CCOCC1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is GXSREESDONMRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(9-11-19-12-10-17)13-18-16(15-7-8-15)14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 103911353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).