3-methyl-2-(4-methylpentan-2-yloxy)aniline

C13H21NO — CID 115550876

IUPAC3-methyl-2-(4-methylpentan-2-yloxy)aniline
SMILESCc1cccc(N)c1OC(C)CC(C)C
InChIInChI=1S/C13H21NO/c1-9(2)8-11(4)15-13-10(3)6-5-7-12(13)14/h5-7,9,11H,8,14H2,1-4H3
InChIKeyQXJZYYFZMKEPRM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-2-(4-methylpentan-2-yloxy)aniline

3-methyl-2-(4-methylpentan-2-yloxy)aniline (PubChem CID 115550876) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpentan-2-yloxy)aniline.

Molecular Properties

Compound Name3-methyl-2-(4-methylpentan-2-yloxy)aniline
PubChem CID115550876
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methyl-2-(4-methylpentan-2-yloxy)aniline
SMILESCc1cccc(N)c1OC(C)CC(C)C
InChIInChI=1S/C13H21NO/c1-9(2)8-11(4)15-13-10(3)6-5-7-12(13)14/h5-7,9,11H,8,14H2,1-4H3
InChIKeyQXJZYYFZMKEPRM-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
3-amino-2-(4-methylpentan-2-yloxy)benzoic acid
CID 112579635
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
3-methyl-2-(1-phenylethoxy)aniline
CID 115550879
6-(4-methylpentan-2-yloxy)pyridine-2,3-diamine
CID 79827803
2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
CID 58649295
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
5-bromo-4-(4-methylpentan-2-yloxy)pyridin-3-amine
CID 103518709
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
2-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 68636836
2-methylaniline;2-methylpropan-1-amine
CID 22279170
2-(2-bromophenoxy)-3-methylaniline
CID 115550883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpentan-2-yloxy)aniline?
The IUPAC name of 3-methyl-2-(4-methylpentan-2-yloxy)aniline (CID 115550876) is 3-methyl-2-(4-methylpentan-2-yloxy)aniline.
What is the SMILES notation for 3-methyl-2-(4-methylpentan-2-yloxy)aniline?
The canonical SMILES for 3-methyl-2-(4-methylpentan-2-yloxy)aniline is Cc1cccc(N)c1OC(C)CC(C)C.
What is the InChIKey of 3-methyl-2-(4-methylpentan-2-yloxy)aniline?
The InChIKey is QXJZYYFZMKEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)8-11(4)15-13-10(3)6-5-7-12(13)14/h5-7,9,11H,8,14H2,1-4H3.
What are the key properties of 3-methyl-2-(4-methylpentan-2-yloxy)aniline?
3-methyl-2-(4-methylpentan-2-yloxy)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpentan-2-yloxy)aniline is sourced from PubChem (CID 115550876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).