6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine

C18H28FNO — CID 107168928

IUPAC6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(Oc2ccc(C)c(F)c2)CCCC1(C)C
InChIInChI=1S/C18H28FNO/c1-5-11-20-17-16(7-6-10-18(17,3)4)21-14-9-8-13(2)15(19)12-14/h8-9,12,16-17,20H,5-7,10-11H2,1-4H3
InChIKeyVKRBATXCSJNIQZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.46
Rot. Bonds5

About 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine

6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 107168928) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID107168928
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(Oc2ccc(C)c(F)c2)CCCC1(C)C
InChIInChI=1S/C18H28FNO/c1-5-11-20-17-16(7-6-10-18(17,3)4)21-14-9-8-13(2)15(19)12-14/h8-9,12,16-17,20H,5-7,10-11H2,1-4H3
InChIKeyVKRBATXCSJNIQZ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79837054
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837059

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 107168928) is 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(Oc2ccc(C)c(F)c2)CCCC1(C)C.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is VKRBATXCSJNIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-11-20-17-16(7-6-10-18(17,3)4)21-14-9-8-13(2)15(19)12-14/h8-9,12,16-17,20H,5-7,10-11H2,1-4H3.
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107168928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).