N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine

C19H30FN — CID 107009149

IUPACN-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine
SMILESC=CCCCCCC(NCC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-5-7-8-9-10-11-18(21-6-2)19(3,4)16-12-14-17(20)15-13-16/h5,12-15,18,21H,1,6-11H2,2-4H3
InChIKeyUIDGEVPYDKCILM-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.22
Rot. Bonds10

About N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine

N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine (PubChem CID 107009149) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine
PubChem CID107009149
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine
SMILESC=CCCCCCC(NCC)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-5-7-8-9-10-11-18(21-6-2)19(3,4)16-12-14-17(20)15-13-16/h5,12-15,18,21H,1,6-11H2,2-4H3
InChIKeyUIDGEVPYDKCILM-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-2-methyl-6-methylsulfonylhexan-3-amine
CID 64770135
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
CID 107009714
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
CID 107009055
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009286
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine (CID 107009149) is N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine is C=CCCCCCC(NCC)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine?
The InChIKey is UIDGEVPYDKCILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-5-7-8-9-10-11-18(21-6-2)19(3,4)16-12-14-17(20)15-13-16/h5,12-15,18,21H,1,6-11H2,2-4H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine?
N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine has a molecular weight of 291.45 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine is sourced from PubChem (CID 107009149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).