2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde

C23H34FNO2 — CID 143927879

IUPAC2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde
SMILESC=O.CCC(C)(C)C.CNc1c(C)cc(OCc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO.C6H14.CH2O/c1-11-8-15(9-12(2)16(11)18-3)19-10-13-4-6-14(17)7-5-13;1-5-6(2,3)4;1-2/h4-9,18H,10H2,1-3H3;5H2,1-4H3;1H2
InChIKeyXNNBPTUSDULSLA-UHFFFAOYSA-N
MW375.53 g/mol
LogP6.32
Rot. Bonds4

About 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde

2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde (PubChem CID 143927879) has the molecular formula C23H34FNO2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde.

Molecular Properties

Compound Name2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde
PubChem CID143927879
Molecular FormulaC23H34FNO2
Molecular Weight375.53 g/mol
Exact Mass375.26
IUPAC Name2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde
SMILESC=O.CCC(C)(C)C.CNc1c(C)cc(OCc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO.C6H14.CH2O/c1-11-8-15(9-12(2)16(11)18-3)19-10-13-4-6-14(17)7-5-13;1-5-6(2,3)4;1-2/h4-9,18H,10H2,1-3H3;5H2,1-4H3;1H2
InChIKeyXNNBPTUSDULSLA-UHFFFAOYSA-N
XLogP6.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide
CID 143927899
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
CID 44602992
3-[(4-fluorophenyl)methoxy]-5-hydroxy-N-methylbenzamide
CID 144990998
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
3-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 126117644
1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
CID 59223964
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde?
The IUPAC name of 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde (CID 143927879) is 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde.
What is the SMILES notation for 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde?
The canonical SMILES for 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde is C=O.CCC(C)(C)C.CNc1c(C)cc(OCc2ccc(F)cc2)cc1C.
What is the InChIKey of 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde?
The InChIKey is XNNBPTUSDULSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO.C6H14.CH2O/c1-11-8-15(9-12(2)16(11)18-3)19-10-13-4-6-14(17)7-5-13;1-5-6(2,3)4;1-2/h4-9,18H,10H2,1-3H3;5H2,1-4H3;1H2.
What are the key properties of 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde?
2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde has a molecular weight of 375.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde is sourced from PubChem (CID 143927879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).