tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate

C19H25FN2O2 — CID 123627313

IUPACtert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate
SMILESCC1CC=CC(c2ccc(C(CF)NC(=O)OC(C)(C)C)cc2)=N1
InChIInChI=1S/C19H25FN2O2/c1-13-6-5-7-16(21-13)14-8-10-15(11-9-14)17(12-20)22-18(23)24-19(2,3)4/h5,7-11,13,17H,6,12H2,1-4H3,(H,22,23)
InChIKeyFAITUYMSZCCOIX-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.36
Rot. Bonds4

About tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate

tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate (PubChem CID 123627313) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate
PubChem CID123627313
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Nametert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate
SMILESCC1CC=CC(c2ccc(C(CF)NC(=O)OC(C)(C)C)cc2)=N1
InChIInChI=1S/C19H25FN2O2/c1-13-6-5-7-16(21-13)14-8-10-15(11-9-14)17(12-20)22-18(23)24-19(2,3)4/h5,7-11,13,17H,6,12H2,1-4H3,(H,22,23)
InChIKeyFAITUYMSZCCOIX-UHFFFAOYSA-N
XLogP4.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tert-butyl N-[(1R)-3-amino-1-phenylpropyl]carbamate
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Tert-butyl 4-(aminomethyl)phenethylcarbamate
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Tert-butyl (1-(4-(aminomethyl)phenyl)ethyl)carbamate
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(S)-N-Boc-2-fluoro-1-phenylethanamine
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate (CID 123627313) is tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate is CC1CC=CC(c2ccc(C(CF)NC(=O)OC(C)(C)C)cc2)=N1.
What is the InChIKey of tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate?
The InChIKey is FAITUYMSZCCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-13-6-5-7-16(21-13)14-8-10-15(11-9-14)17(12-20)22-18(23)24-19(2,3)4/h5,7-11,13,17H,6,12H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate?
tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate has a molecular weight of 332.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-1-[4-(2-methyl-2,3-dihydropyridin-6-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 123627313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).