4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

C18H23N — CID 43093665

IUPAC4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H23N/c1-13(2)16-7-9-17(10-8-16)15(4)19-18-11-5-14(3)6-12-18/h5-13,15,19H,1-4H3
InChIKeyZFUWDYLESAFUKI-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.29
Rot. Bonds4

About 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (PubChem CID 43093665) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
PubChem CID43093665
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H23N/c1-13(2)16-7-9-17(10-8-16)15(4)19-18-11-5-14(3)6-12-18/h5-13,15,19H,1-4H3
InChIKeyZFUWDYLESAFUKI-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43179245
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CID 43094074
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
N-[1-(4-methylphenyl)ethyl]-4-(triazol-2-yl)aniline
CID 43740371
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
CID 107699855
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (CID 43093665) is 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is Cc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The InChIKey is ZFUWDYLESAFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)16-7-9-17(10-8-16)15(4)19-18-11-5-14(3)6-12-18/h5-13,15,19H,1-4H3.
What are the key properties of 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is sourced from PubChem (CID 43093665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).