1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine

C18H29NO2 — CID 103164130

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(OC)cc1)CC1CC(OCC)C1
InChIInChI=1S/C18H29NO2/c1-4-19-16(11-15-12-18(13-15)21-5-2)10-14-6-8-17(20-3)9-7-14/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3
InChIKeyUMHSMFRFQRANQZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine

1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 103164130) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
PubChem CID103164130
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(OC)cc1)CC1CC(OCC)C1
InChIInChI=1S/C18H29NO2/c1-4-19-16(11-15-12-18(13-15)21-5-2)10-14-6-8-17(20-3)9-7-14/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3
InChIKeyUMHSMFRFQRANQZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine (CID 103164130) is 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine is CCNC(Cc1ccc(OC)cc1)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is UMHSMFRFQRANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-16(11-15-12-18(13-15)21-5-2)10-14-6-8-17(20-3)9-7-14/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 103164130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).