1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine

C17H27NO — CID 116720885

IUPAC1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-4-19-17(12(2)3)16(18)15-10-8-14(9-11-15)13-6-5-7-13/h8-13,16-17H,4-7,18H2,1-3H3
InChIKeySESKWCPRHOZGAX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine

1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine (PubChem CID 116720885) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine
PubChem CID116720885
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-4-19-17(12(2)3)16(18)15-10-8-14(9-11-15)13-6-5-7-13/h8-13,16-17H,4-7,18H2,1-3H3
InChIKeySESKWCPRHOZGAX-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
CID 116505826
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720952
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 114604774

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine (CID 116720885) is 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine is CCOC(C(C)C)C(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine?
The InChIKey is SESKWCPRHOZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-17(12(2)3)16(18)15-10-8-14(9-11-15)13-6-5-7-13/h8-13,16-17H,4-7,18H2,1-3H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine?
1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116720885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).