N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine

C16H22BrNO — CID 64863463

IUPACN-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C16H22BrNO/c1-2-19-15-11-14(16(15)9-3-4-10-16)18-13-7-5-12(17)6-8-13/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeySCHNNKXAVOYAOF-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.60
Rot. Bonds4

About N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64863463) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64863463
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C16H22BrNO/c1-2-19-15-11-14(16(15)9-3-4-10-16)18-13-7-5-12(17)6-8-13/h5-8,14-15,18H,2-4,9-11H2,1H3
InChIKeySCHNNKXAVOYAOF-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
(1R,3S)-3-ethoxy-N-(4-nitrophenyl)spiro[3.4]octan-1-amine
CID 97044550
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(3-ethoxyspiro[3.5]nonan-1-yl)thiophen-3-amine
CID 66352329
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one
CID 64864827

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64863463) is N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(Nc2ccc(Br)cc2)C12CCCC2.
What is the InChIKey of N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is SCHNNKXAVOYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-19-15-11-14(16(15)9-3-4-10-16)18-13-7-5-12(17)6-8-13/h5-8,14-15,18H,2-4,9-11H2,1H3.
What are the key properties of N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 324.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).