2-[1-(4-butylanilino)ethyl]-4-methylphenol

C19H25NO — CID 43504758

IUPAC2-[1-(4-butylanilino)ethyl]-4-methylphenol
SMILESCCCCc1ccc(NC(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H25NO/c1-4-5-6-16-8-10-17(11-9-16)20-15(3)18-13-14(2)7-12-19(18)21/h7-13,15,20-21H,4-6H2,1-3H3
InChIKeyVPBXGOSHWFWDSN-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.22
Rot. Bonds6

About 2-[1-(4-butylanilino)ethyl]-4-methylphenol

2-[1-(4-butylanilino)ethyl]-4-methylphenol (PubChem CID 43504758) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-(4-butylanilino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(4-butylanilino)ethyl]-4-methylphenol
PubChem CID43504758
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[1-(4-butylanilino)ethyl]-4-methylphenol
SMILESCCCCc1ccc(NC(C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H25NO/c1-4-5-6-16-8-10-17(11-9-16)20-15(3)18-13-14(2)7-12-19(18)21/h7-13,15,20-21H,4-6H2,1-3H3
InChIKeyVPBXGOSHWFWDSN-UHFFFAOYSA-N
XLogP5.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylanilino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(4-butylanilino)ethyl]-4-methylphenol (CID 43504758) is 2-[1-(4-butylanilino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(4-butylanilino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(4-butylanilino)ethyl]-4-methylphenol is CCCCc1ccc(NC(C)c2cc(C)ccc2O)cc1.
What is the InChIKey of 2-[1-(4-butylanilino)ethyl]-4-methylphenol?
The InChIKey is VPBXGOSHWFWDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-6-16-8-10-17(11-9-16)20-15(3)18-13-14(2)7-12-19(18)21/h7-13,15,20-21H,4-6H2,1-3H3.
What are the key properties of 2-[1-(4-butylanilino)ethyl]-4-methylphenol?
2-[1-(4-butylanilino)ethyl]-4-methylphenol has a molecular weight of 283.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butylanilino)ethyl]-4-methylphenol is sourced from PubChem (CID 43504758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).