1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine

C16H25NO — CID 64918822

IUPAC1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
SMILESCCC(NC(CC)C1CC1)c1ccccc1OC
InChIInChI=1S/C16H25NO/c1-4-14(12-10-11-12)17-15(5-2)13-8-6-7-9-16(13)18-3/h6-9,12,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyVSTVCSUSGOTUIM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds7

About 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine

1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine (PubChem CID 64918822) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
PubChem CID64918822
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
SMILESCCC(NC(CC)C1CC1)c1ccccc1OC
InChIInChI=1S/C16H25NO/c1-4-14(12-10-11-12)17-15(5-2)13-8-6-7-9-16(13)18-3/h6-9,12,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyVSTVCSUSGOTUIM-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine (CID 64918822) is 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine is CCC(NC(CC)C1CC1)c1ccccc1OC.
What is the InChIKey of 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine?
The InChIKey is VSTVCSUSGOTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(12-10-11-12)17-15(5-2)13-8-6-7-9-16(13)18-3/h6-9,12,14-15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine?
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine is sourced from PubChem (CID 64918822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).