4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine

C17H26FNO — CID 103395169

IUPAC4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-16(2,3)12-7-9-17(19,10-8-12)14-6-5-13(20-4)11-15(14)18/h5-6,11-12H,7-10,19H2,1-4H3
InChIKeyJTMDYZSHXRNTRW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.22
Rot. Bonds2

About 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine

4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine (PubChem CID 103395169) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine
PubChem CID103395169
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-16(2,3)12-7-9-17(19,10-8-12)14-6-5-13(20-4)11-15(14)18/h5-6,11-12H,7-10,19H2,1-4H3
InChIKeyJTMDYZSHXRNTRW-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
4-tert-butyl-1-(3,5-difluorophenyl)cyclohexan-1-amine
CID 63407310
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
1-(2,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086707
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
3-fluoro-3-(2-fluoro-4-methoxyphenyl)azetidine
CID 103397020
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
4-tert-butyl-1-(2-methylthiophen-3-yl)cycloheptan-1-amine
CID 102830522

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine (CID 103395169) is 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine is COc1ccc(C2(N)CCC(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is JTMDYZSHXRNTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-16(2,3)12-7-9-17(19,10-8-12)14-6-5-13(20-4)11-15(14)18/h5-6,11-12H,7-10,19H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine?
4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 103395169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).