methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate

C17H19FN2O2 — CID 95624540

IUPACmethyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(N[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c1-12(15-6-4-5-7-16(15)18)19-13-8-10-14(11-9-13)20(2)17(21)22-3/h4-12,19H,1-3H3/t12-/m1/s1
InChIKeySQSMIKLIBSHGLQ-GFCCVEGCSA-N
MW302.35 g/mol
LogP4.20
Rot. Bonds4

About methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate

methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate (PubChem CID 95624540) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate
PubChem CID95624540
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Namemethyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(N[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c1-12(15-6-4-5-7-16(15)18)19-13-8-10-14(11-9-13)20(2)17(21)22-3/h4-12,19H,1-3H3/t12-/m1/s1
InChIKeySQSMIKLIBSHGLQ-GFCCVEGCSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylcarbamate
CID 56788830
methyl N-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]phenyl]-N-methylcarbamate
CID 75467512
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
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2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
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CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
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methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
CID 79413938

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate (CID 95624540) is methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(N[C@H](C)c2ccccc2F)cc1.
What is the InChIKey of methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate?
The InChIKey is SQSMIKLIBSHGLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12(15-6-4-5-7-16(15)18)19-13-8-10-14(11-9-13)20(2)17(21)22-3/h4-12,19H,1-3H3/t12-/m1/s1.
What are the key properties of methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate?
methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate has a molecular weight of 302.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 95624540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).