2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

C18H28FN — CID 105373066

IUPAC2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(F)cc1CC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C18H28FN/c1-13-8-9-15(19)11-14(13)12-18(20)10-6-5-7-16(18)17(2,3)4/h8-9,11,16H,5-7,10,12,20H2,1-4H3
InChIKeyCRFLVWBVXNJJRT-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.61
Rot. Bonds2

About 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 105373066) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID105373066
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(F)cc1CC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C18H28FN/c1-13-8-9-15(19)11-14(13)12-18(20)10-6-5-7-16(18)17(2,3)4/h8-9,11,16H,5-7,10,12,20H2,1-4H3
InChIKeyCRFLVWBVXNJJRT-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
CID 54958154
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (CID 105373066) is 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(F)cc1CC1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is CRFLVWBVXNJJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-13-8-9-15(19)11-14(13)12-18(20)10-6-5-7-16(18)17(2,3)4/h8-9,11,16H,5-7,10,12,20H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 105373066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).