N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine

C16H25NO2 — CID 62451021

IUPACN-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCOc1cc(C)ccc1OC(CNC1CC1)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(10-17-13-6-7-13)19-14-8-5-12(3)9-15(14)18-4/h5,8-9,11,13,16-17H,6-7,10H2,1-4H3
InChIKeyFPCLNPAZZXQQNZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 62451021) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID62451021
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCOc1cc(C)ccc1OC(CNC1CC1)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(10-17-13-6-7-13)19-14-8-5-12(3)9-15(14)18-4/h5,8-9,11,13,16-17H,6-7,10H2,1-4H3
InChIKeyFPCLNPAZZXQQNZ-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine (CID 62451021) is N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine is COc1cc(C)ccc1OC(CNC1CC1)C(C)C.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is FPCLNPAZZXQQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)16(10-17-13-6-7-13)19-14-8-5-12(3)9-15(14)18-4/h5,8-9,11,13,16-17H,6-7,10H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62451021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).