3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one

C12H17NO — CID 117282618

IUPAC3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCN)cc1C
InChIInChI=1S/C12H17NO/c1-3-10-4-5-11(8-9(10)2)12(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyWQGYNLOULQFWBO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one

3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one (PubChem CID 117282618) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
PubChem CID117282618
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CCN)cc1C
InChIInChI=1S/C12H17NO/c1-3-10-4-5-11(8-9(10)2)12(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyWQGYNLOULQFWBO-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
CID 116581624
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
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3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 117351467
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-ethyl-N-methoxy-3-methylbenzamide
CID 145366952
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one (CID 117282618) is 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one is CCc1ccc(C(=O)CCN)cc1C.
What is the InChIKey of 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one?
The InChIKey is WQGYNLOULQFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-4-5-11(8-9(10)2)12(14)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one?
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one is sourced from PubChem (CID 117282618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).