N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H25NO2 — CID 62905211

IUPACN-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(CC2(CNC3CC3)CCOCC2)c1
InChIInChI=1S/C17H25NO2/c1-19-16-4-2-3-14(11-16)12-17(7-9-20-10-8-17)13-18-15-5-6-15/h2-4,11,15,18H,5-10,12-13H2,1H3
InChIKeyGXLAPOFSIMXFAN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62905211) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62905211
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(CC2(CNC3CC3)CCOCC2)c1
InChIInChI=1S/C17H25NO2/c1-19-16-4-2-3-14(11-16)12-17(7-9-20-10-8-17)13-18-15-5-6-15/h2-4,11,15,18H,5-10,12-13H2,1H3
InChIKeyGXLAPOFSIMXFAN-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199408
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62905211) is N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is COc1cccc(CC2(CNC3CC3)CCOCC2)c1.
What is the InChIKey of N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is GXLAPOFSIMXFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-16-4-2-3-14(11-16)12-17(7-9-20-10-8-17)13-18-15-5-6-15/h2-4,11,15,18H,5-10,12-13H2,1H3.
What are the key properties of N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62905211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).