2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine

C12H18ClNO2 — CID 173188958

IUPAC2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(C)N.O=C(O)CCl
InChIInChI=1S/C10H15N.C2H3ClO2/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;1H2,(H,4,5)
InChIKeyBZESSJWTRIMFCH-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.50
Rot. Bonds2

About 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine

2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine (PubChem CID 173188958) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
PubChem CID173188958
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(C)N.O=C(O)CCl
InChIInChI=1S/C10H15N.C2H3ClO2/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;1H2,(H,4,5)
InChIKeyBZESSJWTRIMFCH-UHFFFAOYSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672
2-[2-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 21264783
[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
CID 118168944
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
3,3-difluoro-3-(2-methylphenyl)propanoic acid
CID 84669252
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
2-(cyclohexylcarbamoyl)-2-ethylbutanoic acid;2-(2-methylphenyl)propan-2-amine
CID 173415896
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
[2-methyl-2-(2-methylphenyl)propyl] acetate
CID 166865476
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine?
The IUPAC name of 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine (CID 173188958) is 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(C)(C)N.O=C(O)CCl.
What is the InChIKey of 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine?
The InChIKey is BZESSJWTRIMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H3ClO2/c1-8-6-4-5-7-9(8)10(2,3)11;3-1-2(4)5/h4-7H,11H2,1-3H3;1H2,(H,4,5).
What are the key properties of 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine?
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine has a molecular weight of 243.73 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 173188958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).