1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

C18H29NO — CID 103168260

IUPAC1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2cc(C)cc(C)c2)NC)C1
InChIInChI=1S/C18H29NO/c1-5-20-18-11-16(12-18)10-17(19-4)9-15-7-13(2)6-14(3)8-15/h6-8,16-19H,5,9-12H2,1-4H3
InChIKeyFQCHFUJPMFLCRV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.64
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (PubChem CID 103168260) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
PubChem CID103168260
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2cc(C)cc(C)c2)NC)C1
InChIInChI=1S/C18H29NO/c1-5-20-18-11-16(12-18)10-17(19-4)9-15-7-13(2)6-14(3)8-15/h6-8,16-19H,5,9-12H2,1-4H3
InChIKeyFQCHFUJPMFLCRV-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169247
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168966
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
[1-(2,6-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170731
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167727

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (CID 103168260) is 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is CCOC1CC(CC(Cc2cc(C)cc(C)c2)NC)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The InChIKey is FQCHFUJPMFLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-20-18-11-16(12-18)10-17(19-4)9-15-7-13(2)6-14(3)8-15/h6-8,16-19H,5,9-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103168260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).