N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline

C19H25N — CID 142467015

IUPACN-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(C(C)(C)C)cc1)c1ccccc1C
InChIInChI=1S/C19H25N/c1-6-20(18-10-8-7-9-15(18)2)17-13-11-16(12-14-17)19(3,4)5/h7-14H,6H2,1-5H3
InChIKeyAQRRVYGHXZWKRX-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.45
Rot. Bonds3

About N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline

N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline (PubChem CID 142467015) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
PubChem CID142467015
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(C(C)(C)C)cc1)c1ccccc1C
InChIInChI=1S/C19H25N/c1-6-20(18-10-8-7-9-15(18)2)17-13-11-16(12-14-17)19(3,4)5/h7-14H,6H2,1-5H3
InChIKeyAQRRVYGHXZWKRX-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline (CID 142467015) is N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline is CCN(c1ccc(C(C)(C)C)cc1)c1ccccc1C.
What is the InChIKey of N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline?
The InChIKey is AQRRVYGHXZWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-6-20(18-10-8-7-9-15(18)2)17-13-11-16(12-14-17)19(3,4)5/h7-14H,6H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline?
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline is sourced from PubChem (CID 142467015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).