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

C18H26BrNO — CID 64865209

IUPACN-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)10-4-5-11-18)20-13(2)14-6-8-15(19)9-7-14/h6-9,13,16-17,20H,3-5,10-12H2,1-2H3
InChIKeyWRLSBZDNLKUDRH-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.84
Rot. Bonds5

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

N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64865209) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64865209
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)10-4-5-11-18)20-13(2)14-6-8-15(19)9-7-14/h6-9,13,16-17,20H,3-5,10-12H2,1-2H3
InChIKeyWRLSBZDNLKUDRH-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
3-ethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295588
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65295193
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (CID 64865209) is N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC(C)c2ccc(Br)cc2)C12CCCC2.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is WRLSBZDNLKUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)10-4-5-11-18)20-13(2)14-6-8-15(19)9-7-14/h6-9,13,16-17,20H,3-5,10-12H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64865209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).