N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline

C28H33N — CID 58383017

IUPACN-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C28H33N/c1-21(2)23-11-17-27(18-12-23)29(26-15-9-22(3)10-16-26)28-19-13-25(14-20-28)24-7-5-4-6-8-24/h9-21,24H,4-8H2,1-3H3
InChIKeyBYWQACOVBAIWGN-UHFFFAOYSA-N
MW383.58 g/mol
LogP8.64
Rot. Bonds5

About N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline

N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 58383017) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
PubChem CID58383017
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC NameN-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C28H33N/c1-21(2)23-11-17-27(18-12-23)29(26-15-9-22(3)10-16-26)28-19-13-25(14-20-28)24-7-5-4-6-8-24/h9-21,24H,4-8H2,1-3H3
InChIKeyBYWQACOVBAIWGN-UHFFFAOYSA-N
XLogP8.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline (CID 58383017) is N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is BYWQACOVBAIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N/c1-21(2)23-11-17-27(18-12-23)29(26-15-9-22(3)10-16-26)28-19-13-25(14-20-28)24-7-5-4-6-8-24/h9-21,24H,4-8H2,1-3H3.
What are the key properties of N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline?
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 383.58 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 58383017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).