2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine

C15H23NO3 — CID 83154373

IUPAC2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(C(N)C(C)C2CC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-9(10-5-6-10)15(16)14-12(18-3)7-11(17-2)8-13(14)19-4/h7-10,15H,5-6,16H2,1-4H3
InChIKeyTVGQXBZTTQNKHM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.76
Rot. Bonds6

About 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine

2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine (PubChem CID 83154373) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
PubChem CID83154373
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(C(N)C(C)C2CC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-9(10-5-6-10)15(16)14-12(18-3)7-11(17-2)8-13(14)19-4/h7-10,15H,5-6,16H2,1-4H3
InChIKeyTVGQXBZTTQNKHM-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263091
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43483009
oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 62905832
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine (CID 83154373) is 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c(C(N)C(C)C2CC2)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine?
The InChIKey is TVGQXBZTTQNKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(10-5-6-10)15(16)14-12(18-3)7-11(17-2)8-13(14)19-4/h7-10,15H,5-6,16H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine?
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83154373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).