1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine

C14H18FNO — CID 117342628

IUPAC1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
SMILESNC1(c2cc3c(cc2F)OCC3)CCCCC1
InChIInChI=1S/C14H18FNO/c15-12-9-13-10(4-7-17-13)8-11(12)14(16)5-2-1-3-6-14/h8-9H,1-7,16H2
InChIKeyNCRBTQHGUQVBSM-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.88
Rot. Bonds1

About 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine

1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine (PubChem CID 117342628) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
PubChem CID117342628
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
SMILESNC1(c2cc3c(cc2F)OCC3)CCCCC1
InChIInChI=1S/C14H18FNO/c15-12-9-13-10(4-7-17-13)8-11(12)14(16)5-2-1-3-6-14/h8-9H,1-7,16H2
InChIKeyNCRBTQHGUQVBSM-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
CID 117371666
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117482710
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117479966
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine (CID 117342628) is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine is NC1(c2cc3c(cc2F)OCC3)CCCCC1.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The InChIKey is NCRBTQHGUQVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-9-13-10(4-7-17-13)8-11(12)14(16)5-2-1-3-6-14/h8-9H,1-7,16H2.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).