4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

C21H29NO — CID 54852912

IUPAC4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCCOc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H29NO/c1-5-23-21-12-10-20(11-13-21)22-15-17(4)19-8-6-18(7-9-19)14-16(2)3/h6-13,16-17,22H,5,14-15H2,1-4H3
InChIKeySLXUOIAFQVMQIN-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.50
Rot. Bonds8

About 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (PubChem CID 54852912) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
PubChem CID54852912
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCCOc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H29NO/c1-5-23-21-12-10-20(11-13-21)22-15-17(4)19-8-6-18(7-9-19)14-16(2)3/h6-13,16-17,22H,5,14-15H2,1-4H3
InChIKeySLXUOIAFQVMQIN-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 175171618
3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852592
4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
CID 54796515
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7758120
3-(4-ethoxyanilino)-2-methylpropanenitrile
CID 43245379
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64666892

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The IUPAC name of 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (CID 54852912) is 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The canonical SMILES for 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is CCOc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The InChIKey is SLXUOIAFQVMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-5-23-21-12-10-20(11-13-21)22-15-17(4)19-8-6-18(7-9-19)14-16(2)3/h6-13,16-17,22H,5,14-15H2,1-4H3.
What are the key properties of 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline has a molecular weight of 311.47 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is sourced from PubChem (CID 54852912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).