7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid

C19H30FNO2 — CID 54234416

IUPAC7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid
SMILESCC(C)C(CCC(C)(C)CCC(=O)O)NCc1ccc(F)cc1
InChIInChI=1S/C19H30FNO2/c1-14(2)17(9-11-19(3,4)12-10-18(22)23)21-13-15-5-7-16(20)8-6-15/h5-8,14,17,21H,9-13H2,1-4H3,(H,22,23)
InChIKeyQLNNTPIHXOQRMY-UHFFFAOYSA-N
MW323.45 g/mol
LogP4.61
Rot. Bonds10

About 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid

7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid (PubChem CID 54234416) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid
PubChem CID54234416
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC Name7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid
SMILESCC(C)C(CCC(C)(C)CCC(=O)O)NCc1ccc(F)cc1
InChIInChI=1S/C19H30FNO2/c1-14(2)17(9-11-19(3,4)12-10-18(22)23)21-13-15-5-7-16(20)8-6-15/h5-8,14,17,21H,9-13H2,1-4H3,(H,22,23)
InChIKeyQLNNTPIHXOQRMY-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
7-[(4-chlorophenyl)methylamino]-8-methylnonanoic acid
CID 70602086
2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid
CID 82364357
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 65285413
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid?
The IUPAC name of 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid (CID 54234416) is 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid.
What is the SMILES notation for 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid?
The canonical SMILES for 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid is CC(C)C(CCC(C)(C)CCC(=O)O)NCc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid?
The InChIKey is QLNNTPIHXOQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO2/c1-14(2)17(9-11-19(3,4)12-10-18(22)23)21-13-15-5-7-16(20)8-6-15/h5-8,14,17,21H,9-13H2,1-4H3,(H,22,23).
What are the key properties of 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid?
7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid has a molecular weight of 323.45 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid is sourced from PubChem (CID 54234416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).