2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine

C11H16ClNO — CID 84783245

IUPAC2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)cc1C
InChIInChI=1S/C11H16ClNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyZDTFJSAXILTLNS-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.85
Rot. Bonds2

About 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine

2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine (PubChem CID 84783245) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
PubChem CID84783245
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)cc1C
InChIInChI=1S/C11H16ClNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyZDTFJSAXILTLNS-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

2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905
2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
CID 117304795
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine?
The IUPAC name of 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine (CID 84783245) is 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine is COc1cc(C(C)(C)N)c(Cl)cc1C.
What is the InChIKey of 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine?
The InChIKey is ZDTFJSAXILTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine?
2-(2-chloro-5-methoxy-4-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-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 84783245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).