1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine

C12H17NO — CID 117112372

IUPAC1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO/c1-9(14-2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyPVOVLPNNXCKKAK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds3

About 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine

1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine (PubChem CID 117112372) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
PubChem CID117112372
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO/c1-9(14-2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyPVOVLPNNXCKKAK-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
CID 115018663
2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
CID 115055836
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
CID 117112366
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
3-(1-aminocyclopropyl)phenol
CID 55296554
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-[3-(2-methoxyethoxy)phenyl]cyclopropan-1-amine
CID 165348196

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine (CID 117112372) is 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine is COC(C)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine?
The InChIKey is PVOVLPNNXCKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14-2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3.
What are the key properties of 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine?
1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).