N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C17H26BrNO — CID 81382778

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2cccc(Br)c2)C1(C)CC
InChIInChI=1S/C17H26BrNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-8-7-9-14(18)10-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3/t12-,15?,16?,17?/m0/s1
InChIKeyZQTRTYBSPPHLFC-TWNRVBHCSA-N
MW340.31 g/mol
LogP4.69
Rot. Bonds6

About N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 81382778) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID81382778
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2cccc(Br)c2)C1(C)CC
InChIInChI=1S/C17H26BrNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-8-7-9-14(18)10-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3/t12-,15?,16?,17?/m0/s1
InChIKeyZQTRTYBSPPHLFC-TWNRVBHCSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
CID 64851923
N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
5-bromo-2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzonitrile
CID 82708652
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
4-bromo-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-nitroaniline
CID 65168016
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 81382778) is N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCOC1CC(N[C@@H](C)c2cccc(Br)c2)C1(C)CC.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is ZQTRTYBSPPHLFC-TWNRVBHCSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-8-7-9-14(18)10-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3/t12-,15?,16?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81382778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).