3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

C18H29NO2 — CID 81418332

IUPAC3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(OC)c(OC)c2)C1(C)CC
InChIInChI=1S/C18H29NO2/c1-6-10-19-17-12-14(18(17,3)7-2)13-8-9-15(20-4)16(11-13)21-5/h8-9,11,14,17,19H,6-7,10,12H2,1-5H3
InChIKeyBVZXZIXHMZIHOL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 81418332) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
PubChem CID81418332
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(OC)c(OC)c2)C1(C)CC
InChIInChI=1S/C18H29NO2/c1-6-10-19-17-12-14(18(17,3)7-2)13-8-9-15(20-4)16(11-13)21-5/h8-9,11,14,17,19H,6-7,10,12H2,1-5H3
InChIKeyBVZXZIXHMZIHOL-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
CID 81418140
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
CID 81418267
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(4-bromothiophen-2-yl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 107355533
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417937
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81416989

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (CID 81418332) is 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc(OC)c(OC)c2)C1(C)CC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is BVZXZIXHMZIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-10-19-17-12-14(18(17,3)7-2)13-8-9-15(20-4)16(11-13)21-5/h8-9,11,14,17,19H,6-7,10,12H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).