N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine

C15H19ClFNO — CID 65295443

IUPACN-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(Cl)c(F)c2)C12CCC2
InChIInChI=1S/C15H19ClFNO/c1-2-19-14-9-13(15(14)6-3-7-15)18-10-4-5-11(16)12(17)8-10/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3
InChIKeyVCYPROQZLBGGSL-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.24
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295443) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295443
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(Cl)c(F)c2)C12CCC2
InChIInChI=1S/C15H19ClFNO/c1-2-19-14-9-13(15(14)6-3-7-15)18-10-4-5-11(16)12(17)8-10/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3
InChIKeyVCYPROQZLBGGSL-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-3-ethoxy-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]spiro[3.3]heptan-1-amine
CID 124616450
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295443) is N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(Nc2ccc(Cl)c(F)c2)C12CCC2.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is VCYPROQZLBGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-2-19-14-9-13(15(14)6-3-7-15)18-10-4-5-11(16)12(17)8-10/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 283.77 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).