N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine

C15H21NO2 — CID 43560119

IUPACN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-14-7-4-12(9-16-13-5-6-13)8-15(14)18-10-11-2-3-11/h4,7-8,11,13,16H,2-3,5-6,9-10H2,1H3
InChIKeyFIBSCIBTSPXIIJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine

N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 43560119) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
PubChem CID43560119
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-14-7-4-12(9-16-13-5-6-13)8-15(14)18-10-11-2-3-11/h4,7-8,11,13,16H,2-3,5-6,9-10H2,1H3
InChIKeyFIBSCIBTSPXIIJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 136544926
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
N-[[4-(cyclopropylmethoxymethoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 106929132
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[3-(cyclopropylmethoxy)-4-nitrophenyl]methyl]cyclopropanamine
CID 62114665
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine (CID 43560119) is N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(CNC2CC2)cc1OCC1CC1.
What is the InChIKey of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is FIBSCIBTSPXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-7-4-12(9-16-13-5-6-13)8-15(14)18-10-11-2-3-11/h4,7-8,11,13,16H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43560119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).