2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H23ClFN — CID 102616757

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(18)4-5-15(12)17/h4-5,9-11,13,16H,3,6-8,19H2,1-2H3
InChIKeyWPSBQMQMAOXBKL-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.42
Rot. Bonds3

About 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 102616757) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID102616757
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(18)4-5-15(12)17/h4-5,9-11,13,16H,3,6-8,19H2,1-2H3
InChIKeyWPSBQMQMAOXBKL-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63472251
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
CID 63471295
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 102616757) is 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WPSBQMQMAOXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-10(2)11-3-6-16(19)13(7-11)8-12-9-14(18)4-5-15(12)17/h4-5,9-11,13,16H,3,6-8,19H2,1-2H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 102616757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).