2-(2,2-dimethylcyclopropyl)-5-methoxyaniline

C12H17NO — CID 121014201

IUPAC2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
SMILESCOc1ccc(C2CC2(C)C)c(N)c1
InChIInChI=1S/C12H17NO/c1-12(2)7-10(12)9-5-4-8(14-3)6-11(9)13/h4-6,10H,7,13H2,1-3H3
InChIKeyGDNWKEQIZRGNCO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.79
Rot. Bonds2

About 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline

2-(2,2-dimethylcyclopropyl)-5-methoxyaniline (PubChem CID 121014201) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
PubChem CID121014201
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
SMILESCOc1ccc(C2CC2(C)C)c(N)c1
InChIInChI=1S/C12H17NO/c1-12(2)7-10(12)9-5-4-8(14-3)6-11(9)13/h4-6,10H,7,13H2,1-3H3
InChIKeyGDNWKEQIZRGNCO-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84620622
1,5-dimethoxy-2,2-dimethyl-1,3-dihydroindene
CID 10398076
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
2-iodo-5-methoxyaniline
CID 11139508
2-fluoro-4-methoxyaniline
CID 3756383
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methoxyaniline
CID 59352968
4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one
CID 11841005
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
2-cyclopent-2-en-1-yl-4-methoxyaniline
CID 13003824
(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 124562773
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline (CID 121014201) is 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline is COc1ccc(C2CC2(C)C)c(N)c1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline?
The InChIKey is GDNWKEQIZRGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)7-10(12)9-5-4-8(14-3)6-11(9)13/h4-6,10H,7,13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline?
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline has a molecular weight of 191.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-5-methoxyaniline is sourced from PubChem (CID 121014201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).