2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine

C19H31NO — CID 103162908

IUPAC2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CC2CC(OCC)C2)NCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-15-8-10-17(11-9-15)19(20-5-2)14-16-12-18(13-16)21-6-3/h8-11,16,18-20H,4-7,12-14H2,1-3H3
InChIKeyWOJHTLZQWRJJSH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds9

About 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine

2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine (PubChem CID 103162908) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
PubChem CID103162908
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CC2CC(OCC)C2)NCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-15-8-10-17(11-9-15)19(20-5-2)14-16-12-18(13-16)21-6-3/h8-11,16,18-20H,4-7,12-14H2,1-3H3
InChIKeyWOJHTLZQWRJJSH-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine (CID 103162908) is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CC2CC(OCC)C2)NCC)cc1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
The InChIKey is WOJHTLZQWRJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-15-8-10-17(11-9-15)19(20-5-2)14-16-12-18(13-16)21-6-3/h8-11,16,18-20H,4-7,12-14H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 103162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).