2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C17H25BrFN — CID 64765730

IUPAC2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2cc(Br)ccc2F)C(N)C1
InChIInChI=1S/C17H25BrFN/c1-11-4-6-14(16(20)8-11)17(2,3)10-12-9-13(18)5-7-15(12)19/h5,7,9,11,14,16H,4,6,8,10,20H2,1-3H3
InChIKeyQCKRQRXBZGPZHX-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.92
Rot. Bonds3

About 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765730) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765730
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2cc(Br)ccc2F)C(N)C1
InChIInChI=1S/C17H25BrFN/c1-11-4-6-14(16(20)8-11)17(2,3)10-12-9-13(18)5-7-15(12)19/h5,7,9,11,14,16H,4,6,8,10,20H2,1-3H3
InChIKeyQCKRQRXBZGPZHX-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765003
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 114934448
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64764440
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765540
4-bromo-2-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1-fluorobenzene
CID 79739320
2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765559
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64765730) is 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)Cc2cc(Br)ccc2F)C(N)C1.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is QCKRQRXBZGPZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-11-4-6-14(16(20)8-11)17(2,3)10-12-9-13(18)5-7-15(12)19/h5,7,9,11,14,16H,4,6,8,10,20H2,1-3H3.
What are the key properties of 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).