N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline

C19H25N — CID 11492705

IUPACN-(4-methylphenyl)-2,6-di(propan-2-yl)aniline
SMILESCc1ccc(Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C19H25N/c1-13(2)17-7-6-8-18(14(3)4)19(17)20-16-11-9-15(5)10-12-16/h6-14,20H,1-5H3
InChIKeyUGQDNIBAELHDSZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.99
Rot. Bonds4

About N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline

N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline (PubChem CID 11492705) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,6-di(propan-2-yl)aniline
PubChem CID11492705
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(4-methylphenyl)-2,6-di(propan-2-yl)aniline
SMILESCc1ccc(Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C19H25N/c1-13(2)17-7-6-8-18(14(3)4)19(17)20-16-11-9-15(5)10-12-16/h6-14,20H,1-5H3
InChIKeyUGQDNIBAELHDSZ-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline (CID 11492705) is N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline is Cc1ccc(Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is UGQDNIBAELHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)17-7-6-8-18(14(3)4)19(17)20-16-11-9-15(5)10-12-16/h6-14,20H,1-5H3.
What are the key properties of N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline?
N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 11492705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).