3-propan-2-yl-2-(propan-2-yloxymethyl)aniline

C13H21NO — CID 174277979

IUPAC3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
SMILESCC(C)OCc1c(N)cccc1C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)11-6-5-7-13(14)12(11)8-15-10(3)4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyBNSNTQYCLZGNGU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.32
Rot. Bonds4

About 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline

3-propan-2-yl-2-(propan-2-yloxymethyl)aniline (PubChem CID 174277979) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
PubChem CID174277979
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
SMILESCC(C)OCc1c(N)cccc1C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)11-6-5-7-13(14)12(11)8-15-10(3)4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyBNSNTQYCLZGNGU-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
[2,6-di(propan-2-yl)phenyl]methoxymethanol
CID 143066004
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
2-[(2-amino-6-butan-2-ylphenyl)methyl]-3-butan-2-ylaniline
CID 18175359
2-(propan-2-yloxymethyl)-1H-indol-7-amine
CID 117183754
2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
CID 71264347
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
3-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059371
3-bromo-2-[(4-propan-2-ylphenoxy)methyl]aniline
CID 43168975
1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone
CID 130371601

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline?
The IUPAC name of 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline (CID 174277979) is 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline.
What is the SMILES notation for 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline?
The canonical SMILES for 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline is CC(C)OCc1c(N)cccc1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline?
The InChIKey is BNSNTQYCLZGNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)11-6-5-7-13(14)12(11)8-15-10(3)4/h5-7,9-10H,8,14H2,1-4H3.
What are the key properties of 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline?
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(propan-2-yloxymethyl)aniline is sourced from PubChem (CID 174277979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).