N-phenyl-3,4-di(propan-2-yl)aniline

C18H23N — CID 139833806

IUPACN-phenyl-3,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(Nc2ccccc2)cc1C(C)C
InChIInChI=1S/C18H23N/c1-13(2)17-11-10-16(12-18(17)14(3)4)19-15-8-6-5-7-9-15/h5-14,19H,1-4H3
InChIKeyVOAZRGHOZFDXQC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.68
Rot. Bonds4

About N-phenyl-3,4-di(propan-2-yl)aniline

N-phenyl-3,4-di(propan-2-yl)aniline (PubChem CID 139833806) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-phenyl-3,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-3,4-di(propan-2-yl)aniline
PubChem CID139833806
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-phenyl-3,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(Nc2ccccc2)cc1C(C)C
InChIInChI=1S/C18H23N/c1-13(2)17-11-10-16(12-18(17)14(3)4)19-15-8-6-5-7-9-15/h5-14,19H,1-4H3
InChIKeyVOAZRGHOZFDXQC-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
cumene;N-phenylaniline
CID 22645781
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N-phenyl-4-(1-phenylethyl)aniline
CID 3017553
azane;N-phenylaniline
CID 67074378
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
CID 175904297
CID 175904297
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
CID 70460627
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4-di(propan-2-yl)aniline?
The IUPAC name of N-phenyl-3,4-di(propan-2-yl)aniline (CID 139833806) is N-phenyl-3,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-phenyl-3,4-di(propan-2-yl)aniline?
The canonical SMILES for N-phenyl-3,4-di(propan-2-yl)aniline is CC(C)c1ccc(Nc2ccccc2)cc1C(C)C.
What is the InChIKey of N-phenyl-3,4-di(propan-2-yl)aniline?
The InChIKey is VOAZRGHOZFDXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)17-11-10-16(12-18(17)14(3)4)19-15-8-6-5-7-9-15/h5-14,19H,1-4H3.
What are the key properties of N-phenyl-3,4-di(propan-2-yl)aniline?
N-phenyl-3,4-di(propan-2-yl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4-di(propan-2-yl)aniline is sourced from PubChem (CID 139833806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).