N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine

C18H27NO2 — CID 83150520

IUPACN-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
SMILESCOc1ccccc1OCCC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C18H27NO2/c1-18(14-7-8-14,13-19-15-9-10-15)11-12-21-17-6-4-3-5-16(17)20-2/h3-6,14-15,19H,7-13H2,1-2H3
InChIKeyAOPXTRKJKVPDES-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.63
Rot. Bonds9

About N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine

N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine (PubChem CID 83150520) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
PubChem CID83150520
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
SMILESCOc1ccccc1OCCC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C18H27NO2/c1-18(14-7-8-14,13-19-15-9-10-15)11-12-21-17-6-4-3-5-16(17)20-2/h3-6,14-15,19H,7-13H2,1-2H3
InChIKeyAOPXTRKJKVPDES-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
CID 83159980
N-(2-cyclopropyl-2-methylpentyl)cyclopropanamine
CID 83159526
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine (CID 83150520) is N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine is COc1ccccc1OCCC(C)(CNC1CC1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine?
The InChIKey is AOPXTRKJKVPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(14-7-8-14,13-19-15-9-10-15)11-12-21-17-6-4-3-5-16(17)20-2/h3-6,14-15,19H,7-13H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine?
N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 83150520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).