2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride

C11H16ClNO — CID 71758190

IUPAC2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCCOc1cccc(C2CC2N)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-13-9-5-3-4-8(6-9)10-7-11(10)12;/h3-6,10-11H,2,7,12H2,1H3;1H
InChIKeySOFBAOKUDDCXEF-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride

2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 71758190) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID71758190
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCCOc1cccc(C2CC2N)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-13-9-5-3-4-8(6-9)10-7-11(10)12;/h3-6,10-11H,2,7,12H2,1H3;1H
InChIKeySOFBAOKUDDCXEF-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
(3S,4S)-4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 129493439
4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 121199808
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride (CID 71758190) is 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride is CCOc1cccc(C2CC2N)c1.Cl.
What is the InChIKey of 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is SOFBAOKUDDCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-13-9-5-3-4-8(6-9)10-7-11(10)12;/h3-6,10-11H,2,7,12H2,1H3;1H.
What are the key properties of 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride?
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 71758190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).