1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine

C17H27NO — CID 106200131

IUPAC1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCCC1CCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-3-16(18)17(15-9-7-13(2)8-10-15)19-12-11-14-5-4-6-14/h7-10,14,16-17H,3-6,11-12,18H2,1-2H3
InChIKeyHQSKRSHQDQHFFQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds7

About 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine

1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine (PubChem CID 106200131) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
PubChem CID106200131
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCCC1CCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-3-16(18)17(15-9-7-13(2)8-10-15)19-12-11-14-5-4-6-14/h7-10,14,16-17H,3-6,11-12,18H2,1-2H3
InChIKeyHQSKRSHQDQHFFQ-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
CID 106199991
1-(2-cyclobutylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 106200095
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-(2-cyclobutylethoxy)-1-(2-fluorophenyl)butan-2-amine
CID 106200053
2-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-1-amine
CID 114157364
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 63536931
1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
CID 55015865
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine (CID 106200131) is 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(OCCC1CCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is HQSKRSHQDQHFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16(18)17(15-9-7-13(2)8-10-15)19-12-11-14-5-4-6-14/h7-10,14,16-17H,3-6,11-12,18H2,1-2H3.
What are the key properties of 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine?
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 106200131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).