methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate

C14H18FNO2 — CID 116912777

IUPACmethyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C14H18FNO2/c1-16(2)12(10-5-4-6-11(15)9-10)14(7-8-14)13(17)18-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyVRPNQWSLPVIEHY-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds4

About methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116912777) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116912777
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C14H18FNO2/c1-16(2)12(10-5-4-6-11(15)9-10)14(7-8-14)13(17)18-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyVRPNQWSLPVIEHY-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116912762
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 116912305
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958196
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
methyl 3-[dimethylamino(pyridin-3-yl)methyl]oxetane-3-carboxylate
CID 116912933
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 46438158
1-(3-fluorophenyl)ethyl carbamate
CID 174605012

Frequently Asked Questions

What is the IUPAC name of methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate (CID 116912777) is methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(C(c2cccc(F)c2)N(C)C)CC1.
What is the InChIKey of methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is VRPNQWSLPVIEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(2)12(10-5-4-6-11(15)9-10)14(7-8-14)13(17)18-3/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116912777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).