2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine

C18H28FNO — CID 104793292

IUPAC2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CC2(N)CCCCC2C(C)(C)C)c1F
InChIInChI=1S/C18H28FNO/c1-17(2,3)15-10-5-6-11-18(15,20)12-13-8-7-9-14(21-4)16(13)19/h7-9,15H,5-6,10-12,20H2,1-4H3
InChIKeyPPPUPIJIKLAHEF-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.31
Rot. Bonds3

About 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 104793292) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID104793292
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CC2(N)CCCCC2C(C)(C)C)c1F
InChIInChI=1S/C18H28FNO/c1-17(2,3)15-10-5-6-11-18(15,20)12-13-8-7-9-14(21-4)16(13)19/h7-9,15H,5-6,10-12,20H2,1-4H3
InChIKeyPPPUPIJIKLAHEF-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 104791155
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine (CID 104793292) is 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine is COc1cccc(CC2(N)CCCCC2C(C)(C)C)c1F.
What is the InChIKey of 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PPPUPIJIKLAHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-17(2,3)15-10-5-6-11-18(15,20)12-13-8-7-9-14(21-4)16(13)19/h7-9,15H,5-6,10-12,20H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104793292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).