N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H25NO — CID 62906269

IUPACN-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H25NO/c1-14-4-2-3-5-15(14)12-17(8-10-19-11-9-17)13-18-16-6-7-16/h2-5,16,18H,6-13H2,1H3
InChIKeyUHBVSIQLUKKIPX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.09
Rot. Bonds5

About N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62906269) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62906269
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H25NO/c1-14-4-2-3-5-15(14)12-17(8-10-19-11-9-17)13-18-16-6-7-16/h2-5,16,18H,6-13H2,1H3
InChIKeyUHBVSIQLUKKIPX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine 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

N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
3-(bromomethyl)-3-[(2-methylphenyl)methyl]oxolane
CID 66048541
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[[4-(1,3-benzothiazol-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 104631888
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392227

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62906269) is N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is Cc1ccccc1CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is UHBVSIQLUKKIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-4-2-3-5-15(14)12-17(8-10-19-11-9-17)13-18-16-6-7-16/h2-5,16,18H,6-13H2,1H3.
What are the key properties of N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62906269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).