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

C17H25NO — CID 79679358

IUPACN-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
SMILESCOc1cccc(C2(CNC3CC3)CCCC2C)c1
InChIInChI=1S/C17H25NO/c1-13-5-4-10-17(13,12-18-15-8-9-15)14-6-3-7-16(11-14)19-2/h3,6-7,11,13,15,18H,4-5,8-10,12H2,1-2H3
InChIKeyOWFNXCNHSNHFHM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.51
Rot. Bonds5

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

N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine (PubChem CID 79679358) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
PubChem CID79679358
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
SMILESCOc1cccc(C2(CNC3CC3)CCCC2C)c1
InChIInChI=1S/C17H25NO/c1-13-5-4-10-17(13,12-18-15-8-9-15)14-6-3-7-16(11-14)19-2/h3,6-7,11,13,15,18H,4-5,8-10,12H2,1-2H3
InChIKeyOWFNXCNHSNHFHM-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

N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424540
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
CID 79679172
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
2-(carboxymethyl)-2-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23345433
2-methoxy-N-[(2-methyl-1-pyridin-3-ylcyclopentyl)methyl]ethanamine
CID 80522892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine (CID 79679358) is N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine is COc1cccc(C2(CNC3CC3)CCCC2C)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
The InChIKey is OWFNXCNHSNHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-4-10-17(13,12-18-15-8-9-15)14-6-3-7-16(11-14)19-2/h3,6-7,11,13,15,18H,4-5,8-10,12H2,1-2H3.
What are the key properties of N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine?
N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]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-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 79679358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).