1-amino-1-(4-chloro-3-methylphenyl)propan-2-one

C10H12ClNO — CID 55273275

IUPAC1-amino-1-(4-chloro-3-methylphenyl)propan-2-one
SMILESCC(=O)C(N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)11)10(12)7(2)13/h3-5,10H,12H2,1-2H3
InChIKeyMHOHCNFTWPXFMO-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.24
Rot. Bonds2

About 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one

1-amino-1-(4-chloro-3-methylphenyl)propan-2-one (PubChem CID 55273275) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-chloro-3-methylphenyl)propan-2-one
PubChem CID55273275
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-amino-1-(4-chloro-3-methylphenyl)propan-2-one
SMILESCC(=O)C(N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)11)10(12)7(2)13/h3-5,10H,12H2,1-2H3
InChIKeyMHOHCNFTWPXFMO-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
4-(1-amino-2-oxopropyl)-2-methylbenzoic acid
CID 69415737
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
CID 83835403
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
(2S)-2-amino-2-(4-chloro-3-methylphenyl)acetonitrile
CID 130685286
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one (CID 55273275) is 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one is CC(=O)C(N)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one?
The InChIKey is MHOHCNFTWPXFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)11)10(12)7(2)13/h3-5,10H,12H2,1-2H3.
What are the key properties of 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one?
1-amino-1-(4-chloro-3-methylphenyl)propan-2-one has a molecular weight of 197.66 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-chloro-3-methylphenyl)propan-2-one is sourced from PubChem (CID 55273275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).