1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine

C17H27NO2 — CID 115704098

IUPAC1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc(CCNC(C)CC2CCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-13(11-14-5-4-6-14)18-10-9-15-7-8-16(19-2)17(12-15)20-3/h7-8,12-14,18H,4-6,9-11H2,1-3H3
InChIKeyQQZZGZMKJTVLHI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds8

About 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine

1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine (PubChem CID 115704098) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
PubChem CID115704098
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc(CCNC(C)CC2CCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-13(11-14-5-4-6-14)18-10-9-15-7-8-16(19-2)17(12-15)20-3/h7-8,12-14,18H,4-6,9-11H2,1-3H3
InChIKeyQQZZGZMKJTVLHI-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 115704314
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
CID 63988275
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-iodo-5-methoxyphenyl)propan-2-amine
CID 129362720
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine (CID 115704098) is 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine is COc1ccc(CCNC(C)CC2CCC2)cc1OC.
What is the InChIKey of 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine?
The InChIKey is QQZZGZMKJTVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(11-14-5-4-6-14)18-10-9-15-7-8-16(19-2)17(12-15)20-3/h7-8,12-14,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115704098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).