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

C18H28FNO — CID 115958807

IUPAC1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H28FNO/c1-4-15(20)11-14-6-5-7-17(19)18(14)21-16-9-8-12(2)13(3)10-16/h5-7,12-13,15-16H,4,8-11,20H2,1-3H3
InChIKeyFDNVNZLAMUGSRJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.31
Rot. Bonds5

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

1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine (PubChem CID 115958807) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
PubChem CID115958807
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H28FNO/c1-4-15(20)11-14-6-5-7-17(19)18(14)21-16-9-8-12(2)13(3)10-16/h5-7,12-13,15-16H,4,8-11,20H2,1-3H3
InChIKeyFDNVNZLAMUGSRJ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine (CID 115958807) is 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The InChIKey is FDNVNZLAMUGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-15(20)11-14-6-5-7-17(19)18(14)21-16-9-8-12(2)13(3)10-16/h5-7,12-13,15-16H,4,8-11,20H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 115958807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).