N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine

C18H30N2O — CID 102740250

IUPACN-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
SMILESCCCNC(CC)c1ccccc1OCCN(C)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-14-13-20(3)15-10-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyWAFFCGSHLNKJJW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds10

About N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine

N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine (PubChem CID 102740250) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
PubChem CID102740250
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
SMILESCCCNC(CC)c1ccccc1OCCN(C)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-14-13-20(3)15-10-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyWAFFCGSHLNKJJW-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine (CID 102740250) is N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine is CCCNC(CC)c1ccccc1OCCN(C)C1CC1.
What is the InChIKey of N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine?
The InChIKey is WAFFCGSHLNKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-14-13-20(3)15-10-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine?
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 102740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).