4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

C14H19BrFNO — CID 20662460

IUPAC4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3
InChIKeyFLYXIFGJZNHKFH-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.64
Rot. Bonds4

About 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 20662460) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID20662460
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3
InChIKeyFLYXIFGJZNHKFH-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (CID 20662460) is 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCC(OCc2cc(Br)ccc2F)CC1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is FLYXIFGJZNHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 316.21 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 20662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).