2-(3-fluorophenyl)ethanamine;undecan-1-amine

C19H35FN2 — CID 158185766

IUPAC2-(3-fluorophenyl)ethanamine;undecan-1-amine
SMILESCCCCCCCCCCCN.NCCc1cccc(F)c1
InChIInChI=1S/C11H25N.C8H10FN/c1-2-3-4-5-6-7-8-9-10-11-12;9-8-3-1-2-7(6-8)4-5-10/h2-12H2,1H3;1-3,6H,4-5,10H2
InChIKeyFZCRUUOZKQTLJG-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.80
Rot. Bonds11

About 2-(3-fluorophenyl)ethanamine;undecan-1-amine

2-(3-fluorophenyl)ethanamine;undecan-1-amine (PubChem CID 158185766) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethanamine;undecan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethanamine;undecan-1-amine
PubChem CID158185766
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Name2-(3-fluorophenyl)ethanamine;undecan-1-amine
SMILESCCCCCCCCCCCN.NCCc1cccc(F)c1
InChIInChI=1S/C11H25N.C8H10FN/c1-2-3-4-5-6-7-8-9-10-11-12;9-8-3-1-2-7(6-8)4-5-10/h2-12H2,1H3;1-3,6H,4-5,10H2
InChIKeyFZCRUUOZKQTLJG-UHFFFAOYSA-N
XLogP4.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 95437731
acetylene;1-butyl-3-fluorobenzene
CID 142913636
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CID 143706023
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
1,3-dipentylbenzene;fluorobenzene
CID 174957175
1,3-di(tetradecyl)benzene
CID 91053224
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050
1-[2-(1,1-dimethoxydecoxy)ethyl]-3-fluorobenzene
CID 150948230
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)ethanamine;undecan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)ethanamine;undecan-1-amine (CID 158185766) is 2-(3-fluorophenyl)ethanamine;undecan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)ethanamine;undecan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)ethanamine;undecan-1-amine is CCCCCCCCCCCN.NCCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethanamine;undecan-1-amine?
The InChIKey is FZCRUUOZKQTLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C8H10FN/c1-2-3-4-5-6-7-8-9-10-11-12;9-8-3-1-2-7(6-8)4-5-10/h2-12H2,1H3;1-3,6H,4-5,10H2.
What are the key properties of 2-(3-fluorophenyl)ethanamine;undecan-1-amine?
2-(3-fluorophenyl)ethanamine;undecan-1-amine has a molecular weight of 310.50 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethanamine;undecan-1-amine is sourced from PubChem (CID 158185766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).