N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline

C16H17Cl2NO — CID 54802436

IUPACN-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)20-16-6-4-3-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyQFYBIOLWQWEJGQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.39
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline

N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline (PubChem CID 54802436) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
PubChem CID54802436
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)20-16-6-4-3-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyQFYBIOLWQWEJGQ-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
4-[(2-propan-2-yloxyanilino)methyl]benzene-1,2-diol
CID 43739197
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
CID 114936575
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline (CID 54802436) is N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccccc1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline?
The InChIKey is QFYBIOLWQWEJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(2)20-16-6-4-3-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline?
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline has a molecular weight of 310.22 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 54802436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).