N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine

C17H25NO — CID 64997645

IUPACN-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine
SMILESCOc1ccccc1C1(CNC2CC2)CC(C)(C)C1
InChIInChI=1S/C17H25NO/c1-16(2)10-17(11-16,12-18-13-8-9-13)14-6-4-5-7-15(14)19-3/h4-7,13,18H,8-12H2,1-3H3
InChIKeyANRFLTRSBFHANN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.51
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine

N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine (PubChem CID 64997645) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine
PubChem CID64997645
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine
SMILESCOc1ccccc1C1(CNC2CC2)CC(C)(C)C1
InChIInChI=1S/C17H25NO/c1-16(2)10-17(11-16,12-18-13-8-9-13)14-6-4-5-7-15(14)19-3/h4-7,13,18H,8-12H2,1-3H3
InChIKeyANRFLTRSBFHANN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]piperidine-1-carboxamide
CID 75427727
(1S,5R,6R)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97336155
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519317
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
[2-cyclopropyl-2-(2-methoxyphenyl)cyclopropyl]methanol
CID 105472708
[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358735
1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
CID 84585180
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine (CID 64997645) is N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine is COc1ccccc1C1(CNC2CC2)CC(C)(C)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine?
The InChIKey is ANRFLTRSBFHANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)10-17(11-16,12-18-13-8-9-13)14-6-4-5-7-15(14)19-3/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine?
N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 64997645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).