1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine

C18H28FNO — CID 64744328

IUPAC1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OC1CCC(C)C(C)C1)c1cccc(F)c1
InChIInChI=1S/C18H28FNO/c1-4-17(20)18(14-6-5-7-15(19)11-14)21-16-9-8-12(2)13(3)10-16/h5-7,11-13,16-18H,4,8-10,20H2,1-3H3
InChIKeyQWHJAHAWJPPYOX-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.45
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine

1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine (PubChem CID 64744328) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
PubChem CID64744328
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OC1CCC(C)C(C)C1)c1cccc(F)c1
InChIInChI=1S/C18H28FNO/c1-4-17(20)18(14-6-5-7-15(19)11-14)21-16-9-8-12(2)13(3)10-16/h5-7,11-13,16-18H,4,8-10,20H2,1-3H3
InChIKeyQWHJAHAWJPPYOX-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
CID 64745897
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
1-(5-chlorothiophen-2-yl)-1-(3,4-dimethylcyclohexyl)oxybutan-2-amine
CID 64745900
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine (CID 64744328) is 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine is CCC(N)C(OC1CCC(C)C(C)C1)c1cccc(F)c1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is QWHJAHAWJPPYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-17(20)18(14-6-5-7-15(19)11-14)21-16-9-8-12(2)13(3)10-16/h5-7,11-13,16-18H,4,8-10,20H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine?
1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 64744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).