1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine

C13H19NO — CID 117112366

IUPAC1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCOC(C)(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C13H19NO/c1-12(2,15-3)10-5-4-6-11(9-10)13(14)7-8-13/h4-6,9H,7-8,14H2,1-3H3
InChIKeyXWQYZBYKNQJDDX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds3

About 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine

1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 117112366) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
PubChem CID117112366
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCOC(C)(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C13H19NO/c1-12(2,15-3)10-5-4-6-11(9-10)13(14)7-8-13/h4-6,9H,7-8,14H2,1-3H3
InChIKeyXWQYZBYKNQJDDX-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxypropan-2-yl)phenyl]cyclopentan-1-amine
CID 117112730
1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
CID 58902125
2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
CID 115039072
1-(1-isocyanatocyclopropyl)-3-(2-methoxypropan-2-yl)benzene
CID 117112470
1-(1-isocyanatocyclobutyl)-3-(2-methoxypropan-2-yl)benzene
CID 117112987
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
CID 117112780
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-(3-tert-butylphenyl)-4-methylsulfanylcyclohexan-1-amine;4-methylsulfanylcyclohexan-1-one
CID 160891834
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
CID 117112372
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine (CID 117112366) is 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine is COC(C)(C)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is XWQYZBYKNQJDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2,15-3)10-5-4-6-11(9-10)13(14)7-8-13/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine?
1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117112366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).