4-methyl-N-[1-(4-propylphenyl)ethyl]aniline

C18H23N — CID 43111793

IUPAC4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-8-10-17(11-9-16)15(3)19-18-12-6-14(2)7-13-18/h6-13,15,19H,4-5H2,1-3H3
InChIKeyQPECKNGEDFWZBK-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.12
Rot. Bonds5

About 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline

4-methyl-N-[1-(4-propylphenyl)ethyl]aniline (PubChem CID 43111793) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
PubChem CID43111793
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
SMILESCCCc1ccc(C(C)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-5-16-8-10-17(11-9-16)15(3)19-18-12-6-14(2)7-13-18/h6-13,15,19H,4-5H2,1-3H3
InChIKeyQPECKNGEDFWZBK-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
N-(1-phenylethyl)-4-propylaniline
CID 43078217
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-propyl-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43107132
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline (CID 43111793) is 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline is CCCc1ccc(C(C)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
The InChIKey is QPECKNGEDFWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-16-8-10-17(11-9-16)15(3)19-18-12-6-14(2)7-13-18/h6-13,15,19H,4-5H2,1-3H3.
What are the key properties of 4-methyl-N-[1-(4-propylphenyl)ethyl]aniline?
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.12, 5 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-propylphenyl)ethyl]aniline is sourced from PubChem (CID 43111793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).