N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C18H28BrNO — CID 64852750

IUPACN-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C18H28BrNO/c1-12(2)11-21-17-10-16(18(17,4)5)20-13(3)14-6-8-15(19)9-7-14/h6-9,12-13,16-17,20H,10-11H2,1-5H3
InChIKeyXCXQJTVXEUGHJC-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.94
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64852750) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64852750
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C18H28BrNO/c1-12(2)11-21-17-10-16(18(17,4)5)20-13(3)14-6-8-15(19)9-7-14/h6-9,12-13,16-17,20H,10-11H2,1-5H3
InChIKeyXCXQJTVXEUGHJC-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852361
4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851577
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64851570

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64852750) is N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NC(C)c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is XCXQJTVXEUGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-12(2)11-21-17-10-16(18(17,4)5)20-13(3)14-6-8-15(19)9-7-14/h6-9,12-13,16-17,20H,10-11H2,1-5H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.94, 6 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]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64852750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).