N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine

C17H25NO — CID 66424540

IUPACN-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
SMILESCOc1cc(C2(CNC3CC3)CCC2C)ccc1C
InChIInChI=1S/C17H25NO/c1-12-4-5-14(10-16(12)19-3)17(9-8-13(17)2)11-18-15-6-7-15/h4-5,10,13,15,18H,6-9,11H2,1-3H3
InChIKeyZQHYDTKDMKMPQX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.42
Rot. Bonds5

About N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine

N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine (PubChem CID 66424540) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
PubChem CID66424540
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
SMILESCOc1cc(C2(CNC3CC3)CCC2C)ccc1C
InChIInChI=1S/C17H25NO/c1-12-4-5-14(10-16(12)19-3)17(9-8-13(17)2)11-18-15-6-7-15/h4-5,10,13,15,18H,6-9,11H2,1-3H3
InChIKeyZQHYDTKDMKMPQX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
CID 66424740
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79679358
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519317
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine (CID 66424540) is N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine is COc1cc(C2(CNC3CC3)CCC2C)ccc1C.
What is the InChIKey of N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
The InChIKey is ZQHYDTKDMKMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-4-5-14(10-16(12)19-3)17(9-8-13(17)2)11-18-15-6-7-15/h4-5,10,13,15,18H,6-9,11H2,1-3H3.
What are the key properties of N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine?
N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 66424540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).