3-amino-1-(2-chloro-3-methylphenyl)propan-1-one

C10H12ClNO — CID 117287477

IUPAC3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN)c1Cl
InChIInChI=1S/C10H12ClNO/c1-7-3-2-4-8(10(7)11)9(13)5-6-12/h2-4H,5-6,12H2,1H3
InChIKeyHNFFULGTYJWSSP-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one

3-amino-1-(2-chloro-3-methylphenyl)propan-1-one (PubChem CID 117287477) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
PubChem CID117287477
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN)c1Cl
InChIInChI=1S/C10H12ClNO/c1-7-3-2-4-8(10(7)11)9(13)5-6-12/h2-4H,5-6,12H2,1H3
InChIKeyHNFFULGTYJWSSP-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one (CID 117287477) is 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN)c1Cl.
What is the InChIKey of 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one?
The InChIKey is HNFFULGTYJWSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-3-2-4-8(10(7)11)9(13)5-6-12/h2-4H,5-6,12H2,1H3.
What are the key properties of 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one?
3-amino-1-(2-chloro-3-methylphenyl)propan-1-one has a molecular weight of 197.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-3-methylphenyl)propan-1-one is sourced from PubChem (CID 117287477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).