1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine

C18H29NO2 — CID 114603906

IUPAC1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C(OCC)OCC
InChIInChI=1S/C18H29NO2/c1-4-19-17(18(20-5-2)21-6-3)16-12-8-11-15(13-16)14-9-7-10-14/h8,11-14,17-19H,4-7,9-10H2,1-3H3
InChIKeyJFSMOTHDTFBBDN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds9

About 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine

1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine (PubChem CID 114603906) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
PubChem CID114603906
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C(OCC)OCC
InChIInChI=1S/C18H29NO2/c1-4-19-17(18(20-5-2)21-6-3)16-12-8-11-15(13-16)14-9-7-10-14/h8,11-14,17-19H,4-7,9-10H2,1-3H3
InChIKeyJFSMOTHDTFBBDN-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine (CID 114603906) is 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine is CCNC(c1cccc(C2CCC2)c1)C(OCC)OCC.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine?
The InChIKey is JFSMOTHDTFBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-17(18(20-5-2)21-6-3)16-12-8-11-15(13-16)14-9-7-10-14/h8,11-14,17-19H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine?
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine is sourced from PubChem (CID 114603906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).