N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine

C18H26FNO — CID 116662158

IUPACN-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1cccc(OC)c1F
InChIInChI=1S/C18H26FNO/c1-3-12-20-16(13-14-8-5-4-6-9-14)15-10-7-11-17(21-2)18(15)19/h7-8,10-11,16,20H,3-6,9,12-13H2,1-2H3
InChIKeyLVUNUGRNAWNNNV-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.77
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 116662158) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID116662158
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1cccc(OC)c1F
InChIInChI=1S/C18H26FNO/c1-3-12-20-16(13-14-8-5-4-6-9-14)15-10-7-11-17(21-2)18(15)19/h7-8,10-11,16,20H,3-6,9,12-13H2,1-2H3
InChIKeyLVUNUGRNAWNNNV-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.77
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

N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
[2-(cyclohexen-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105270064
2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 116661577
N-[1-(2-fluoro-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216049
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine (CID 116662158) is N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1cccc(OC)c1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is LVUNUGRNAWNNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-3-12-20-16(13-14-8-5-4-6-9-14)15-10-7-11-17(21-2)18(15)19/h7-8,10-11,16,20H,3-6,9,12-13H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116662158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).