[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate

C14H21FN2O2 — CID 174983997

IUPAC[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate
SMILESCN(Cc1cccc(F)c1COC(N)=O)C(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)17(4)8-10-6-5-7-12(15)11(10)9-19-13(16)18/h5-7H,8-9H2,1-4H3,(H2,16,18)
InChIKeyVCHPVSBHCNNWDB-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.65
Rot. Bonds4

About [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate

[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate (PubChem CID 174983997) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate.

Molecular Properties

Compound Name[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate
PubChem CID174983997
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate
SMILESCN(Cc1cccc(F)c1COC(N)=O)C(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)17(4)8-10-6-5-7-12(15)11(10)9-19-13(16)18/h5-7H,8-9H2,1-4H3,(H2,16,18)
InChIKeyVCHPVSBHCNNWDB-UHFFFAOYSA-N
XLogP2.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 131067793
2-[[tert-butyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 134586202
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932
[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate
CID 175348073
(3,6-difluoro-2-formylphenyl)methyl carbamate
CID 175233070
ethyl 3-(2,6-difluorophenyl)-2-oxopropanoate
CID 18370505
[5-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146565794
[6-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-5-methyl-3-pyridinyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146426060
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
tert-butyl 6-[[2-(2-amino-2-oxoethyl)-6-fluorophenyl]methoxy]-5-chloropyridine-3-carboxylate
CID 154449230

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate?
The IUPAC name of [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate (CID 174983997) is [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate.
What is the SMILES notation for [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate?
The canonical SMILES for [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate is CN(Cc1cccc(F)c1COC(N)=O)C(C)(C)C.
What is the InChIKey of [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate?
The InChIKey is VCHPVSBHCNNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)17(4)8-10-6-5-7-12(15)11(10)9-19-13(16)18/h5-7H,8-9H2,1-4H3,(H2,16,18).
What are the key properties of [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate?
[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate has a molecular weight of 268.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate is sourced from PubChem (CID 174983997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).