N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine

C15H19F2NO — CID 65295033

IUPACN-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cc(F)cc(F)c2)C12CCC2
InChIInChI=1S/C15H19F2NO/c1-2-19-14-9-13(15(14)4-3-5-15)18-12-7-10(16)6-11(17)8-12/h6-8,13-14,18H,2-5,9H2,1H3
InChIKeyKZMJFEYXFUKOQC-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.72
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295033) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295033
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cc(F)cc(F)c2)C12CCC2
InChIInChI=1S/C15H19F2NO/c1-2-19-14-9-13(15(14)4-3-5-15)18-12-7-10(16)6-11(17)8-12/h6-8,13-14,18H,2-5,9H2,1H3
InChIKeyKZMJFEYXFUKOQC-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295033) is N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(Nc2cc(F)cc(F)c2)C12CCC2.
What is the InChIKey of N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is KZMJFEYXFUKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-19-14-9-13(15(14)4-3-5-15)18-12-7-10(16)6-11(17)8-12/h6-8,13-14,18H,2-5,9H2,1H3.
What are the key properties of N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).