N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

C17H26BrNO — CID 103274369

IUPACN-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1(OCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H26BrNO/c1-14(2)12-19-11-10-17(8-3-9-17)20-13-15-4-6-16(18)7-5-15/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyAYIDFZHZCOAUBL-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.52
Rot. Bonds8

About N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (PubChem CID 103274369) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
PubChem CID103274369
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1(OCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H26BrNO/c1-14(2)12-19-11-10-17(8-3-9-17)20-13-15-4-6-16(18)7-5-15/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyAYIDFZHZCOAUBL-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (CID 103274369) is N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCC1(OCc2ccc(Br)cc2)CCC1.
What is the InChIKey of N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is AYIDFZHZCOAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-14(2)12-19-11-10-17(8-3-9-17)20-13-15-4-6-16(18)7-5-15/h4-7,14,19H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103274369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).