2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

C16H25NO3 — CID 115592760

IUPAC2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CNCC(C)C2CC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-11(12-5-6-12)9-17-10-14-15(19-3)7-13(18-2)8-16(14)20-4/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyZBXMHPLIOHLNEV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.85
Rot. Bonds8

About 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 115592760) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID115592760
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CNCC(C)C2CC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-11(12-5-6-12)9-17-10-14-15(19-3)7-13(18-2)8-16(14)20-4/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyZBXMHPLIOHLNEV-UHFFFAOYSA-N
XLogP2.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 63982546
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
N-[(2,4,6-trimethoxyphenyl)methyl]thian-4-amine
CID 115584471
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
2-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]propan-1-amine
CID 115592571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (CID 115592760) is 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(OC)c(CNCC(C)C2CC2)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is ZBXMHPLIOHLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(12-5-6-12)9-17-10-14-15(19-3)7-13(18-2)8-16(14)20-4/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115592760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).