[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone

C13H17NO2 — CID 116601381

IUPAC[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)C2(CN)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-11-5-3-4-10(8-11)12(15)13(9-14)6-7-13/h3-5,8H,2,6-7,9,14H2,1H3
InChIKeyRDCNKHINVNWCDG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.01
Rot. Bonds5

About [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone (PubChem CID 116601381) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
PubChem CID116601381
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)C2(CN)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-11-5-3-4-10(8-11)12(15)13(9-14)6-7-13/h3-5,8H,2,6-7,9,14H2,1H3
InChIKeyRDCNKHINVNWCDG-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580623
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
methyl 3-ethoxybenzoate
CID 3267781
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
bromobenzene;3-ethoxybenzoic acid
CID 174626248
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
2-amino-1-(3-ethoxyphenyl)-2-methoxyethanone
CID 123571041

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone (CID 116601381) is [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)C2(CN)CC2)c1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone?
The InChIKey is RDCNKHINVNWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-11-5-3-4-10(8-11)12(15)13(9-14)6-7-13/h3-5,8H,2,6-7,9,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 116601381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).