ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate

C14H18FNO2 — CID 59555492

IUPACethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-2-18-13(17)14(7-8-14)10-16-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyPINRYXDUPXPVGX-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.26
Rot. Bonds6

About ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate

ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 59555492) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID59555492
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-2-18-13(17)14(7-8-14)10-16-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyPINRYXDUPXPVGX-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 44541628
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
methyl 1-[[(4-methoxy-3-methylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247551
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate (CID 59555492) is ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(CNCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is PINRYXDUPXPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-13(17)14(7-8-14)10-16-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate?
ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59555492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).