2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine

C11H16ClNO — CID 117304795

IUPAC2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(C(C)(C)N)c1C
InChIInChI=1S/C11H16ClNO/c1-7-9(11(2,3)13)5-8(12)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyHUKQGLRRNPFRHU-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine

2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine (PubChem CID 117304795) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
PubChem CID117304795
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(C(C)(C)N)c1C
InChIInChI=1S/C11H16ClNO/c1-7-9(11(2,3)13)5-8(12)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyHUKQGLRRNPFRHU-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-methoxy-2-methylaniline
CID 97179579
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
2-(5-chloro-2-methoxy-3-methylphenyl)propane-2-thiol
CID 116866596
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine (CID 117304795) is 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine is COc1cc(Cl)cc(C(C)(C)N)c1C.
What is the InChIKey of 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine?
The InChIKey is HUKQGLRRNPFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-9(11(2,3)13)5-8(12)6-10(7)14-4/h5-6H,13H2,1-4H3.
What are the key properties of 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine?
2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 117304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).