1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine

C17H27NO2 — CID 103902141

IUPAC1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1CC1(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-14(18-11-13-10-17(13,2)3)12-7-8-15(19-4)16(9-12)20-5/h7-9,13-14,18H,6,10-11H2,1-5H3
InChIKeyADAPLKNCCNOBDP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.79
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine (PubChem CID 103902141) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
PubChem CID103902141
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1CC1(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-14(18-11-13-10-17(13,2)3)12-7-8-15(19-4)16(9-12)20-5/h7-9,13-14,18H,6,10-11H2,1-5H3
InChIKeyADAPLKNCCNOBDP-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
CID 107411682
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
N-[1-(3,4-dimethoxyphenyl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725943
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine (CID 103902141) is 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine is CCC(NCC1CC1(C)C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is ADAPLKNCCNOBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-14(18-11-13-10-17(13,2)3)12-7-8-15(19-4)16(9-12)20-5/h7-9,13-14,18H,6,10-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 103902141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).