4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol

C20H26N2O — CID 88575602

IUPAC4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(CNc2ccc(N)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N2O/c1-13(2)17-10-14(11-18(19(17)23)20(3,4)5)12-22-16-8-6-15(21)7-9-16/h6-11,22-23H,1,12,21H2,2-5H3
InChIKeyDPEPTSCJLFCDJX-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.92
Rot. Bonds4

About 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol

4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol (PubChem CID 88575602) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol
PubChem CID88575602
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(CNc2ccc(N)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N2O/c1-13(2)17-10-14(11-18(19(17)23)20(3,4)5)12-22-16-8-6-15(21)7-9-16/h6-11,22-23H,1,12,21H2,2-5H3
InChIKeyDPEPTSCJLFCDJX-UHFFFAOYSA-N
XLogP4.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
CID 71376111
5-[(4-aminoanilino)methyl]benzene-1,3-diamine;hydrochloride
CID 23437151
4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 89029788
6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)propanoate
CID 88894568
acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
CID 162328467
1-N-[(4-amino-3,5-ditert-butylphenyl)methyl]-4-N-(4-octylphenyl)benzene-1,4-diamine
CID 143284917
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
2,6-ditert-butyl-4-[(4-fluorophenyl)methylamino]phenol;hydrochloride
CID 139761952
3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide
CID 87436228
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
CID 70143761
2,6-ditert-butyl-4-[(2,2-difluoroethylamino)methyl]phenol
CID 115406049

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The IUPAC name of 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol (CID 88575602) is 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The canonical SMILES for 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol is C=C(C)c1cc(CNc2ccc(N)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
The InChIKey is DPEPTSCJLFCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13(2)17-10-14(11-18(19(17)23)20(3,4)5)12-22-16-8-6-15(21)7-9-16/h6-11,22-23H,1,12,21H2,2-5H3.
What are the key properties of 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol?
4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol has a molecular weight of 310.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 88575602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).