1-(3,4-diethoxyphenyl)cyclopropan-1-amine

C13H19NO2 — CID 116989285

IUPAC1-(3,4-diethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2)cc1OCC
InChIInChI=1S/C13H19NO2/c1-3-15-11-6-5-10(13(14)7-8-13)9-12(11)16-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeySIGGXRRSHADEJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)cyclopropan-1-amine

1-(3,4-diethoxyphenyl)cyclopropan-1-amine (PubChem CID 116989285) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)cyclopropan-1-amine
PubChem CID116989285
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3,4-diethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2)cc1OCC
InChIInChI=1S/C13H19NO2/c1-3-15-11-6-5-10(13(14)7-8-13)9-12(11)16-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeySIGGXRRSHADEJZ-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693589
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
CID 66465326
5-(1-aminocyclopropyl)-2-methoxyaniline
CID 55297586
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746862
1-(3,4-diethoxyphenyl)-2,3-dimethylcyclohexan-1-ol
CID 64756632

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)cyclopropan-1-amine (CID 116989285) is 1-(3,4-diethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)cyclopropan-1-amine is CCOc1ccc(C2(N)CC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)cyclopropan-1-amine?
The InChIKey is SIGGXRRSHADEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-15-11-6-5-10(13(14)7-8-13)9-12(11)16-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)cyclopropan-1-amine?
1-(3,4-diethoxyphenyl)cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 116989285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).