2-amino-1-(2-cyclobutylphenyl)butan-1-one

C14H19NO — CID 114607633

IUPAC2-amino-1-(2-cyclobutylphenyl)butan-1-one
SMILESCCC(N)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C14H19NO/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13H,2,5-7,15H2,1H3
InChIKeyNDQSNVQDAPFVQI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-1-(2-cyclobutylphenyl)butan-1-one

2-amino-1-(2-cyclobutylphenyl)butan-1-one (PubChem CID 114607633) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-amino-1-(2-cyclobutylphenyl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-cyclobutylphenyl)butan-1-one
PubChem CID114607633
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-amino-1-(2-cyclobutylphenyl)butan-1-one
SMILESCCC(N)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C14H19NO/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13H,2,5-7,15H2,1H3
InChIKeyNDQSNVQDAPFVQI-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
CID 114607787
ethyl 2-cyclobutylbenzoate
CID 106942755
2-cyclopentylbenzohydrazide
CID 68852694
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
CID 114601876
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
CID 114602016
ethyl 2-cyclopropylbenzoate
CID 118105330
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one
CID 114607588
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclobutylphenyl)butan-1-one?
The IUPAC name of 2-amino-1-(2-cyclobutylphenyl)butan-1-one (CID 114607633) is 2-amino-1-(2-cyclobutylphenyl)butan-1-one.
What is the SMILES notation for 2-amino-1-(2-cyclobutylphenyl)butan-1-one?
The canonical SMILES for 2-amino-1-(2-cyclobutylphenyl)butan-1-one is CCC(N)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 2-amino-1-(2-cyclobutylphenyl)butan-1-one?
The InChIKey is NDQSNVQDAPFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13(15)14(16)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10,13H,2,5-7,15H2,1H3.
What are the key properties of 2-amino-1-(2-cyclobutylphenyl)butan-1-one?
2-amino-1-(2-cyclobutylphenyl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclobutylphenyl)butan-1-one is sourced from PubChem (CID 114607633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).