4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline

C23H33N — CID 170058687

IUPAC4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H33N/c1-17(2)15-20-7-11-22(12-8-20)24(19(5)6)23-13-9-21(10-14-23)16-18(3)4/h7-14,17-19H,15-16H2,1-6H3
InChIKeyBXJWDVNSUCVXDN-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.63
Rot. Bonds7

About 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline

4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline (PubChem CID 170058687) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
PubChem CID170058687
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H33N/c1-17(2)15-20-7-11-22(12-8-20)24(19(5)6)23-13-9-21(10-14-23)16-18(3)4/h7-14,17-19H,15-16H2,1-6H3
InChIKeyBXJWDVNSUCVXDN-UHFFFAOYSA-N
XLogP6.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-[(dihydroxyamino)oxymethyl]-4-(2-methylpropyl)benzene
CID 89081288
[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 141472327
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline?
The IUPAC name of 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline (CID 170058687) is 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline is CC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline?
The InChIKey is BXJWDVNSUCVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-17(2)15-20-7-11-22(12-8-20)24(19(5)6)23-13-9-21(10-14-23)16-18(3)4/h7-14,17-19H,15-16H2,1-6H3.
What are the key properties of 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline?
4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline has a molecular weight of 323.52 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline is sourced from PubChem (CID 170058687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).