1-(4-fluorophenyl)undecan-2-amine

C17H28FN — CID 63412478

IUPAC1-(4-fluorophenyl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-2-3-4-5-6-7-8-9-17(19)14-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,19H2,1H3
InChIKeyCAHXMJYYADAVCK-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.84
Rot. Bonds10

About 1-(4-fluorophenyl)undecan-2-amine

1-(4-fluorophenyl)undecan-2-amine (PubChem CID 63412478) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)undecan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)undecan-2-amine
PubChem CID63412478
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(4-fluorophenyl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-2-3-4-5-6-7-8-9-17(19)14-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,19H2,1H3
InChIKeyCAHXMJYYADAVCK-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.84
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

1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
4-(2-aminooctyl)phenol
CID 69403996
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373
1-(4-propylphenyl)hexan-2-amine
CID 82255234
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)undecan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)undecan-2-amine (CID 63412478) is 1-(4-fluorophenyl)undecan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)undecan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)undecan-2-amine is CCCCCCCCCC(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)undecan-2-amine?
The InChIKey is CAHXMJYYADAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-2-3-4-5-6-7-8-9-17(19)14-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,19H2,1H3.
What are the key properties of 1-(4-fluorophenyl)undecan-2-amine?
1-(4-fluorophenyl)undecan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)undecan-2-amine is sourced from PubChem (CID 63412478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).