1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C17H25ClFN — CID 103961208

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C17H25ClFN/c1-15(2)9-16(3,4)11-17(20,10-15)8-12-6-5-7-13(19)14(12)18/h5-7H,8-11,20H2,1-4H3
InChIKeyLIGYDUDEWZRYNV-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.96
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103961208) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103961208
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C17H25ClFN/c1-15(2)9-16(3,4)11-17(20,10-15)8-12-6-5-7-13(19)14(12)18/h5-7H,8-11,20H2,1-4H3
InChIKeyLIGYDUDEWZRYNV-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239
1-[(2-chloro-6-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999473
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
CID 112654969
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
1-[(2-bromo-5-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961178
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103961208) is 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(C)(C)CC(N)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is LIGYDUDEWZRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-15(2)9-16(3,4)11-17(20,10-15)8-12-6-5-7-13(19)14(12)18/h5-7H,8-11,20H2,1-4H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 297.84 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103961208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).