1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine

C17H26BrNO — CID 19823609

IUPAC1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCC(N(C)C)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H26BrNO/c1-19(2)16(6-4-13-20-3)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyMRFMSLVSPAYXRI-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.23
Rot. Bonds7

About 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine

1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine (PubChem CID 19823609) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
PubChem CID19823609
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCC(N(C)C)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H26BrNO/c1-19(2)16(6-4-13-20-3)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyMRFMSLVSPAYXRI-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
CID 19823690
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
CID 56621938
4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
CID 113230930
1-[1-(4-bromophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823887
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
8-[1-(3,4-dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-ol
CID 19823631
1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
CID 19823720
[1-(4-bromophenyl)sulfanyl-5-methoxypentan-2-yl]hydrazine
CID 105236006
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine (CID 19823609) is 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine is COCCCC(N(C)C)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The InChIKey is MRFMSLVSPAYXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-19(2)16(6-4-13-20-3)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 19823609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).