2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C18H28FNO — CID 62740577

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H28FNO/c1-12(2)14-6-7-17(20-3)15(11-14)9-13-5-8-18(21-4)16(19)10-13/h5,8,10,12,14-15,17,20H,6-7,9,11H2,1-4H3
InChIKeyJPQWUTMPAXLJPE-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.04
Rot. Bonds5

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62740577) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID62740577
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H28FNO/c1-12(2)14-6-7-17(20-3)15(11-14)9-13-5-8-18(21-4)16(19)10-13/h5,8,10,12,14-15,17,20H,6-7,9,11H2,1-4H3
InChIKeyJPQWUTMPAXLJPE-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401107
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401728
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401112
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
CID 63473181
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 62740577) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JPQWUTMPAXLJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12(2)14-6-7-17(20-3)15(11-14)9-13-5-8-18(21-4)16(19)10-13/h5,8,10,12,14-15,17,20H,6-7,9,11H2,1-4H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62740577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).