3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one

C14H19NO — CID 116558532

IUPAC3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CC(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H19NO/c1-10-5-3-4-6-11(10)9-13(16)14(2,15)12-7-8-12/h3-6,12H,7-9,15H2,1-2H3
InChIKeyMZYQBPOZDDTHIF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one

3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one (PubChem CID 116558532) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
PubChem CID116558532
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one
SMILESCc1ccccc1CC(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H19NO/c1-10-5-3-4-6-11(10)9-13(16)14(2,15)12-7-8-12/h3-6,12H,7-9,15H2,1-2H3
InChIKeyMZYQBPOZDDTHIF-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116560190
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
3,3-dimethyl-1-(2-methylphenyl)pentan-2-one
CID 62677864
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)butan-2-one
CID 105411898
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
2-(2-methylphenyl)acetic acid
CID 67440217
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
2-amino-2-cyclopropyl-N-[2-[(dimethylamino)methyl]phenyl]propanamide
CID 60865925
2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975956
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one (CID 116558532) is 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one is Cc1ccccc1CC(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one?
The InChIKey is MZYQBPOZDDTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-5-3-4-6-11(10)9-13(16)14(2,15)12-7-8-12/h3-6,12H,7-9,15H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one?
3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(2-methylphenyl)butan-2-one is sourced from PubChem (CID 116558532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).