N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

C17H24FN — CID 81477478

IUPACN-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cccc(C)c1F
InChIInChI=1S/C17H24FN/c1-3-12-19-17(14-9-5-4-6-10-14)15-11-7-8-13(2)16(15)18/h7-9,11,17,19H,3-6,10,12H2,1-2H3
InChIKeyILNMOEXFLXCNFU-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.68
Rot. Bonds5

About N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 81477478) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID81477478
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cccc(C)c1F
InChIInChI=1S/C17H24FN/c1-3-12-19-17(14-9-5-4-6-10-14)15-11-7-8-13(2)16(15)18/h7-9,11,17,19H,3-6,10,12H2,1-2H3
InChIKeyILNMOEXFLXCNFU-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
N-[(3-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 81264775
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
N-[(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656754
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2-chloro-4-methylphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 106859010
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 81477478) is N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1cccc(C)c1F.
What is the InChIKey of N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is ILNMOEXFLXCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-3-12-19-17(14-9-5-4-6-10-14)15-11-7-8-13(2)16(15)18/h7-9,11,17,19H,3-6,10,12H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81477478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).