2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C17H25BrFN — CID 79703128

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H25BrFN/c1-11(2)13-4-5-17(20-3)14(9-13)6-12-7-15(18)10-16(19)8-12/h7-8,10-11,13-14,17,20H,4-6,9H2,1-3H3
InChIKeyRUCAQQJGYKDNOM-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.79
Rot. Bonds4

About 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 79703128) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID79703128
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H25BrFN/c1-11(2)13-4-5-17(20-3)14(9-13)6-12-7-15(18)10-16(19)8-12/h7-8,10-11,13-14,17,20H,4-6,9H2,1-3H3
InChIKeyRUCAQQJGYKDNOM-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 79711062
2-[(3,4-difluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 82920745
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62740577
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401107
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080
4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 105404547
2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401112
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 79703128) is 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RUCAQQJGYKDNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-11(2)13-4-5-17(20-3)14(9-13)6-12-7-15(18)10-16(19)8-12/h7-8,10-11,13-14,17,20H,4-6,9H2,1-3H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).