N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C18H29NO2 — CID 103559672

IUPACN-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-19-17(13-18(20-4)10-7-11-18)15-8-6-9-16(12-15)21-14(2)3/h6,8-9,12,14,17,19H,5,7,10-11,13H2,1-4H3
InChIKeySQZVZUAUQIHRIC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.08
Rot. Bonds8

About N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine

N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 103559672) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID103559672
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-19-17(13-18(20-4)10-7-11-18)15-8-6-9-16(12-15)21-14(2)3/h6,8-9,12,14,17,19H,5,7,10-11,13H2,1-4H3
InChIKeySQZVZUAUQIHRIC-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 103559035
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 103559672) is N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CCNC(CC1(OC)CCC1)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SQZVZUAUQIHRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-19-17(13-18(20-4)10-7-11-18)15-8-6-9-16(12-15)21-14(2)3/h6,8-9,12,14,17,19H,5,7,10-11,13H2,1-4H3.
What are the key properties of N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103559672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).