N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline

C13H21NO — CID 82267547

IUPACN-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
SMILESCCNc1cc(C)cc(C)c1OC(C)C
InChIInChI=1S/C13H21NO/c1-6-14-12-8-10(4)7-11(5)13(12)15-9(2)3/h7-9,14H,6H2,1-5H3
InChIKeyDMKVSJYRQVAFJK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.52
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline

N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline (PubChem CID 82267547) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
PubChem CID82267547
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
SMILESCCNc1cc(C)cc(C)c1OC(C)C
InChIInChI=1S/C13H21NO/c1-6-14-12-8-10(4)7-11(5)13(12)15-9(2)3/h7-9,14H,6H2,1-5H3
InChIKeyDMKVSJYRQVAFJK-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
N,2-diethyl-6,8-dimethylquinolin-4-amine
CID 63480218
N-(hydrazinylmethyl)-2-methoxy-3,5-dimethylaniline
CID 115260467
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
2-bromo-1-N,3-N-diethyl-5-methylbenzene-1,3-diamine
CID 174639511
2-ethyl-N'-(2-methoxy-3,5-dimethylphenyl)propane-1,3-diamine
CID 115251223
2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene
CID 129258633
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline?
The IUPAC name of N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline (CID 82267547) is N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline is CCNc1cc(C)cc(C)c1OC(C)C.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline?
The InChIKey is DMKVSJYRQVAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-14-12-8-10(4)7-11(5)13(12)15-9(2)3/h7-9,14H,6H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline?
N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 82267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).