4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline

C19H25N — CID 146198028

IUPAC4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H25N/c1-12(2)16-7-6-8-17(13(3)4)19(16)18-10-9-15(20)11-14(18)5/h6-13H,20H2,1-5H3
InChIKeyYRQAZBUGCAVQSM-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.49
Rot. Bonds3

About 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline

4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline (PubChem CID 146198028) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
PubChem CID146198028
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H25N/c1-12(2)16-7-6-8-17(13(3)4)19(16)18-10-9-15(20)11-14(18)5/h6-13H,20H2,1-5H3
InChIKeyYRQAZBUGCAVQSM-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936
2-methyl-6-propan-2-ylaniline
CID 162117439
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
CID 688047
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 101430775
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
4-(2,4-dimethylphenyl)-3,5-di(propan-2-yl)phenol
CID 70463233
4-(2-amino-6-methylphenyl)benzene-1,3-diamine
CID 22061903
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
4-(2-bromophenyl)-3-methylaniline
CID 115503554

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline (CID 146198028) is 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline is Cc1cc(N)ccc1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline?
The InChIKey is YRQAZBUGCAVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12(2)16-7-6-8-17(13(3)4)19(16)18-10-9-15(20)11-14(18)5/h6-13H,20H2,1-5H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline?
4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline is sourced from PubChem (CID 146198028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).