N-ethyl-1-(2-fluorophenyl)undecan-2-amine

C19H32FN — CID 63416880

IUPACN-ethyl-1-(2-fluorophenyl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1ccccc1F)NCC
InChIInChI=1S/C19H32FN/c1-3-5-6-7-8-9-10-14-18(21-4-2)16-17-13-11-12-15-19(17)20/h11-13,15,18,21H,3-10,14,16H2,1-2H3
InChIKeyIKOHDWOPDIZYQS-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.49
Rot. Bonds12

About N-ethyl-1-(2-fluorophenyl)undecan-2-amine

N-ethyl-1-(2-fluorophenyl)undecan-2-amine (PubChem CID 63416880) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)undecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)undecan-2-amine
PubChem CID63416880
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-ethyl-1-(2-fluorophenyl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1ccccc1F)NCC
InChIInChI=1S/C19H32FN/c1-3-5-6-7-8-9-10-14-18(21-4-2)16-17-13-11-12-15-19(17)20/h11-13,15,18,21H,3-10,14,16H2,1-2H3
InChIKeyIKOHDWOPDIZYQS-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
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1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)undecan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)undecan-2-amine (CID 63416880) is N-ethyl-1-(2-fluorophenyl)undecan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)undecan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)undecan-2-amine is CCCCCCCCCC(Cc1ccccc1F)NCC.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)undecan-2-amine?
The InChIKey is IKOHDWOPDIZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-3-5-6-7-8-9-10-14-18(21-4-2)16-17-13-11-12-15-19(17)20/h11-13,15,18,21H,3-10,14,16H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)undecan-2-amine?
N-ethyl-1-(2-fluorophenyl)undecan-2-amine has a molecular weight of 293.47 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)undecan-2-amine is sourced from PubChem (CID 63416880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).