N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline

C19H25N — CID 174956285

IUPACN-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline
SMILESCC(C)(C)C(C)(C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-18(2,3)19(4,5)20(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3
InChIKeyLYGOHCPGJLUYIV-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.65
Rot. Bonds3

About N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline

N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline (PubChem CID 174956285) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline
PubChem CID174956285
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline
SMILESCC(C)(C)C(C)(C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N/c1-18(2,3)19(4,5)20(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3
InChIKeyLYGOHCPGJLUYIV-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline?
The IUPAC name of N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline (CID 174956285) is N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline.
What is the SMILES notation for N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline?
The canonical SMILES for N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline is CC(C)(C)C(C)(C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline?
The InChIKey is LYGOHCPGJLUYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-18(2,3)19(4,5)20(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3.
What are the key properties of N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline?
N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline is sourced from PubChem (CID 174956285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).