N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine

C23H27FN2 — CID 169173689

IUPACN-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine
SMILESC=C(NCC)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2ccccc2)c1F
InChIInChI=1S/C23H27FN2/c1-3-25-17(2)26-16-23(12-13-23)15-20(26)14-19-10-7-11-21(22(19)24)18-8-5-4-6-9-18/h4-11,20,25H,2-3,12-16H2,1H3/t20-/m0/s1
InChIKeyBTDBPXJOAKDRAO-FQEVSTJZSA-N
MW350.48 g/mol
LogP4.97
Rot. Bonds6

About N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine

N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine (PubChem CID 169173689) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine.

Molecular Properties

Compound NameN-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine
PubChem CID169173689
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC NameN-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine
SMILESC=C(NCC)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2ccccc2)c1F
InChIInChI=1S/C23H27FN2/c1-3-25-17(2)26-16-23(12-13-23)15-20(26)14-19-10-7-11-21(22(19)24)18-8-5-4-6-9-18/h4-11,20,25H,2-3,12-16H2,1H3/t20-/m0/s1
InChIKeyBTDBPXJOAKDRAO-FQEVSTJZSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169173555
[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone
CID 169173584
(2S,3R)-4,4-difluoro-2-[(2-fluoro-3-phenylphenyl)methyl]-N,3-dimethylpyrrolidine-1-carboxamide
CID 155044435
1-[1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4-methyl-7-methylidene-2,6-diazaspiro[4.5]decan-2-yl]-N-ethylethenamine
CID 166107818
(6S,7S)-7-(difluoromethylsulfonylamino)-6-[(2-fluoro-3-phenylphenyl)methyl]-N-[(1-methoxycyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036376
(6S,7S)-6-[(2-fluoro-3-phenylphenyl)methyl]-N-(2-hydroxyethyl)-7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036643
(2S,3R)-3-amino-4,4-difluoro-2-[(2-fluoro-3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 155025724
N-[(6S,7S)-5-(3,3-difluoroazetidine-1-carbonyl)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036785
(6S,7S)-N-(2-fluoroethyl)-6-[(2-fluoro-3-phenylphenyl)methyl]-7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036823
tert-butyl 4,4-difluoro-2-[(2-fluoro-3-phenylphenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 175169934
(2S,3R)-3-(dimethylsulfamoylamino)-4,4-difluoro-2-[(2-fluoro-3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 155025705
N-ethyl-2-fluoro-3-phenylbenzamide
CID 67472653

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine?
The IUPAC name of N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine (CID 169173689) is N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine.
What is the SMILES notation for N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine?
The canonical SMILES for N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine is C=C(NCC)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2ccccc2)c1F.
What is the InChIKey of N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine?
The InChIKey is BTDBPXJOAKDRAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN2/c1-3-25-17(2)26-16-23(12-13-23)15-20(26)14-19-10-7-11-21(22(19)24)18-8-5-4-6-9-18/h4-11,20,25H,2-3,12-16H2,1H3/t20-/m0/s1.
What are the key properties of N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine?
N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine has a molecular weight of 350.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine is sourced from PubChem (CID 169173689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).