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

C18H26BrNO — CID 64865194

IUPACN-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2cccc(Br)c2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)9-4-5-10-18)20-13(2)14-7-6-8-15(19)11-14/h6-8,11,13,16-17,20H,3-5,9-10,12H2,1-2H3
InChIKeyPTHQPLLXJADDLG-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.84
Rot. Bonds5

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

N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64865194) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64865194
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2cccc(Br)c2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)9-4-5-10-18)20-13(2)14-7-6-8-15(19)11-14/h6-8,11,13,16-17,20H,3-5,9-10,12H2,1-2H3
InChIKeyPTHQPLLXJADDLG-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

Analyze N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
3-ethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295588
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65295193
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (CID 64865194) is N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC(C)c2cccc(Br)c2)C12CCCC2.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is PTHQPLLXJADDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-21-17-12-16(18(17)9-4-5-10-18)20-13(2)14-7-6-8-15(19)11-14/h6-8,11,13,16-17,20H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
N-[1-(3-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-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64865194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).