2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one

C16H23NO — CID 112514525

IUPAC2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1ccc(C(=O)C(C)NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-11(2)10-13-4-6-14(7-5-13)16(18)12(3)17-15-8-9-15/h4-7,11-12,15,17H,8-10H2,1-3H3
InChIKeyNJSUFZCIWNYETR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds6

About 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one

2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one (PubChem CID 112514525) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
PubChem CID112514525
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1ccc(C(=O)C(C)NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-11(2)10-13-4-6-14(7-5-13)16(18)12(3)17-15-8-9-15/h4-7,11-12,15,17H,8-10H2,1-3H3
InChIKeyNJSUFZCIWNYETR-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
CID 3024747
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 112512195
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
2-bromo-2-chloro-1-[4-(2-methylpropyl)phenyl]ethanone
CID 116863838
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
CID 94272830
amino 4-(2-methylpropyl)benzoate
CID 163714335

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The IUPAC name of 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one (CID 112514525) is 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one.
What is the SMILES notation for 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The canonical SMILES for 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one is CC(C)Cc1ccc(C(=O)C(C)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The InChIKey is NJSUFZCIWNYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)10-13-4-6-14(7-5-13)16(18)12(3)17-15-8-9-15/h4-7,11-12,15,17H,8-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one is sourced from PubChem (CID 112514525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).