1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine

C17H27NO — CID 103164153

IUPAC1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCOC1CC(CC(Cc2ccc(C)cc2)NC)C1
InChIInChI=1S/C17H27NO/c1-4-19-17-11-15(12-17)10-16(18-3)9-14-7-5-13(2)6-8-14/h5-8,15-18H,4,9-12H2,1-3H3
InChIKeyDVXHJDQYZBQQSZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.33
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine

1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 103164153) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID103164153
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCOC1CC(CC(Cc2ccc(C)cc2)NC)C1
InChIInChI=1S/C17H27NO/c1-4-19-17-11-15(12-17)10-16(18-3)9-14-7-5-13(2)6-8-14/h5-8,15-18H,4,9-12H2,1-3H3
InChIKeyDVXHJDQYZBQQSZ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169247
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471
[1-(2,6-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170731
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168966
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 103164153) is 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine is CCOC1CC(CC(Cc2ccc(C)cc2)NC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is DVXHJDQYZBQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-17-11-15(12-17)10-16(18-3)9-14-7-5-13(2)6-8-14/h5-8,15-18H,4,9-12H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 103164153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).