(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine

C13H16FNO — CID 114619906

IUPAC(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
SMILESNCc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C13H16FNO/c14-12-8-4-5-10(9-15)13(12)16-11-6-2-1-3-7-11/h2,4-6,8,11H,1,3,7,9,15H2
InChIKeyVPISGVYHNSOAAI-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.77
Rot. Bonds3

About (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine

(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine (PubChem CID 114619906) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
PubChem CID114619906
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
SMILESNCc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C13H16FNO/c14-12-8-4-5-10(9-15)13(12)16-11-6-2-1-3-7-11/h2,4-6,8,11H,1,3,7,9,15H2
InChIKeyVPISGVYHNSOAAI-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
CID 114620704
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
CID 114620717
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)butan-2-amine
CID 114620705
(2,3-difluorophenyl)methanamine
CID 2736941
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514

Frequently Asked Questions

What is the IUPAC name of (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine?
The IUPAC name of (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine (CID 114619906) is (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine.
What is the SMILES notation for (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine?
The canonical SMILES for (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine is NCc1cccc(F)c1OC1C=CCCC1.
What is the InChIKey of (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine?
The InChIKey is VPISGVYHNSOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-8-4-5-10(9-15)13(12)16-11-6-2-1-3-7-11/h2,4-6,8,11H,1,3,7,9,15H2.
What are the key properties of (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine?
(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine is sourced from PubChem (CID 114619906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).