1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C19H31NO — CID 103162804

IUPAC1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2ccc(C(C)CC)cc2)C1
InChIInChI=1S/C19H31NO/c1-5-14(3)16-7-9-17(10-8-16)19(20-4)13-15-11-18(12-15)21-6-2/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyQPBLJANBIPYOQR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds8

About 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103162804) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103162804
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2ccc(C(C)CC)cc2)C1
InChIInChI=1S/C19H31NO/c1-5-14(3)16-7-9-17(10-8-16)19(20-4)13-15-11-18(12-15)21-6-2/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyQPBLJANBIPYOQR-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
2-(3-ethoxycyclobutyl)-N-methyl-1-quinolin-6-ylethanamine
CID 103169272
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065
1-(3-ethoxycyclobutyl)-N,3-dimethylpentan-2-amine
CID 103169218
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103162804) is 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)c2ccc(C(C)CC)cc2)C1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is QPBLJANBIPYOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-14(3)16-7-9-17(10-8-16)19(20-4)13-15-11-18(12-15)21-6-2/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103162804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).