1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine

C19H31NO — CID 114604696

IUPAC1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C(CC)OCC
InChIInChI=1S/C19H31NO/c1-4-13-20-19(18(5-2)21-6-3)17-12-8-11-16(14-17)15-9-7-10-15/h8,11-12,14-15,18-20H,4-7,9-10,13H2,1-3H3
InChIKeyOMHLYKJLKLRBGC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.81
Rot. Bonds9

About 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine

1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine (PubChem CID 114604696) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
PubChem CID114604696
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C(CC)OCC
InChIInChI=1S/C19H31NO/c1-4-13-20-19(18(5-2)21-6-3)17-12-8-11-16(14-17)15-9-7-10-15/h8,11-12,14-15,18-20H,4-7,9-10,13H2,1-3H3
InChIKeyOMHLYKJLKLRBGC-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
[1-(3-cyclobutylphenyl)-2-methoxypentyl]hydrazine
CID 105271668
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine (CID 114604696) is 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine is CCCNC(c1cccc(C2CCC2)c1)C(CC)OCC.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine?
The InChIKey is OMHLYKJLKLRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-19(18(5-2)21-6-3)17-12-8-11-16(14-17)15-9-7-10-15/h8,11-12,14-15,18-20H,4-7,9-10,13H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine?
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 114604696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).