N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine

C22H23FN2O — CID 77138173

IUPACN-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCCC1CNc2cccc(F)c2O1)c1cccc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)24-13-12-17-14-25-21-11-5-10-20(23)22(21)26-17/h2-11,15,17,24-25H,12-14H2,1H3
InChIKeyVZMOLXWTQIDYLX-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.89
Rot. Bonds5

About N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine

N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine (PubChem CID 77138173) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine
PubChem CID77138173
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCCC1CNc2cccc(F)c2O1)c1cccc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)24-13-12-17-14-25-21-11-5-10-20(23)22(21)26-17/h2-11,15,17,24-25H,12-14H2,1H3
InChIKeyVZMOLXWTQIDYLX-UHFFFAOYSA-N
XLogP4.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[8-fluoro-4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]-1-naphthalen-1-ylethanamine
CID 77137819
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
(1R)-N-[2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]-1-naphthalen-1-ylethanamine
CID 66549119
methyl 2-fluoro-5-[(2S,4R)-2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]-3,4-dihydro-2H-chromen-4-yl]benzoate
CID 71730996
2-fluoro-5-[(2R,4S)-2-[2-(1-naphthalen-1-ylethylamino)ethyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid;hydrochloride
CID 138677341
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
2-[3-[5-fluoro-2-[2-(1-naphthalen-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]phenoxy]acetic acid
CID 77137929
N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
CID 56668881
N-[2-[6-fluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]-1-naphthalen-1-ylethanamine
CID 77137967
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
N-[2-[6-fluoro-4-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethyl]-1-naphthalen-1-ylethanamine
CID 77137969

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine (CID 77138173) is N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine is CC(NCCC1CNc2cccc(F)c2O1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine?
The InChIKey is VZMOLXWTQIDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)24-13-12-17-14-25-21-11-5-10-20(23)22(21)26-17/h2-11,15,17,24-25H,12-14H2,1H3.
What are the key properties of N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine?
N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine has a molecular weight of 350.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 77138173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).