3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine

C16H23NO2 — CID 65295180

IUPAC3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(OC)cc2)C12CCC2
InChIInChI=1S/C16H23NO2/c1-3-19-15-11-14(16(15)9-4-10-16)17-12-5-7-13(18-2)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3
InChIKeyUTDIUUNMSJRDQW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.45
Rot. Bonds5

About 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65295180) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
PubChem CID65295180
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(OC)cc2)C12CCC2
InChIInChI=1S/C16H23NO2/c1-3-19-15-11-14(16(15)9-4-10-16)17-12-5-7-13(18-2)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3
InChIKeyUTDIUUNMSJRDQW-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
CID 65295489
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine (CID 65295180) is 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2ccc(OC)cc2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is UTDIUUNMSJRDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15-11-14(16(15)9-4-10-16)17-12-5-7-13(18-2)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).