3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline

C19H25NO — CID 54803067

IUPAC3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-16(3)21-19-11-7-10-18(14-19)20-13-12-17-9-6-5-8-15(17)2/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeySLJQWPNPJARSOO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.83
Rot. Bonds7

About 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline

3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline (PubChem CID 54803067) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
PubChem CID54803067
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-16(3)21-19-11-7-10-18(14-19)20-13-12-17-9-6-5-8-15(17)2/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeySLJQWPNPJARSOO-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline
CID 54802681
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
3-butan-2-yloxy-N-[2-(2,5-dimethylphenoxy)ethyl]aniline
CID 54802671
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline (CID 54803067) is 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline is CCC(C)Oc1cccc(NCCc2ccccc2C)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline?
The InChIKey is SLJQWPNPJARSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-16(3)21-19-11-7-10-18(14-19)20-13-12-17-9-6-5-8-15(17)2/h5-11,14,16,20H,4,12-13H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline?
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 54803067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).