N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline

C17H19F2NO — CID 115523834

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2ccc(C(F)F)cc2)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-15-8-9-16(12(2)10-15)20-11-13-4-6-14(7-5-13)17(18)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZJUSLGDDMQRMPQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.94
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline

N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline (PubChem CID 115523834) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
PubChem CID115523834
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2ccc(C(F)F)cc2)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-15-8-9-16(12(2)10-15)20-11-13-4-6-14(7-5-13)17(18)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZJUSLGDDMQRMPQ-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
N-[(3-chloro-5-fluorophenyl)methyl]-4-ethoxy-2-methylaniline
CID 114452686
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
4-[(4-ethoxy-2-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203107
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline (CID 115523834) is N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline is CCOc1ccc(NCc2ccc(C(F)F)cc2)c(C)c1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline?
The InChIKey is ZJUSLGDDMQRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-21-15-8-9-16(12(2)10-15)20-11-13-4-6-14(7-5-13)17(18)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline?
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline has a molecular weight of 291.34 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline is sourced from PubChem (CID 115523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).