2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol

C19H23NO — CID 139562271

IUPAC2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol
SMILESC/C=C(\CC(N)c1cc(C)ccc1O)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-15(16-7-5-6-13(2)10-16)12-18(20)17-11-14(3)8-9-19(17)21/h4-11,18,21H,12,20H2,1-3H3/b15-4+
InChIKeyZGQOSFIUSMLZJH-SYZQJQIISA-N
MW281.40 g/mol
LogP4.50
Rot. Bonds4

About 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol

2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol (PubChem CID 139562271) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol
PubChem CID139562271
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol
SMILESC/C=C(\CC(N)c1cc(C)ccc1O)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-15(16-7-5-6-13(2)10-16)12-18(20)17-11-14(3)8-9-19(17)21/h4-11,18,21H,12,20H2,1-3H3/b15-4+
InChIKeyZGQOSFIUSMLZJH-SYZQJQIISA-N
XLogP4.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.50
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-[(1R)-1-aminobut-3-enyl]-4-methylphenol;hydrochloride
CID 171202308
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-[(1R)-1,5-diaminopentyl]-4-methylphenol;hydrochloride
CID 171202303
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
4,4-bis(3-methylphenyl)but-3-en-2-amine
CID 12821410
2-(1-aminoethyl)-4-(3-methylphenyl)phenol
CID 115036226
2-(6-aminoheptan-3-yl)-4-methylphenol
CID 83922878
1,2-dimethyl-3-[(E)-2-(3-methylphenyl)but-1-enyl]pyrrole
CID 166737598
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol?
The IUPAC name of 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol (CID 139562271) is 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol.
What is the SMILES notation for 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol?
The canonical SMILES for 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol is C/C=C(\CC(N)c1cc(C)ccc1O)c1cccc(C)c1.
What is the InChIKey of 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol?
The InChIKey is ZGQOSFIUSMLZJH-SYZQJQIISA-N. The full InChI is InChI=1S/C19H23NO/c1-4-15(16-7-5-6-13(2)10-16)12-18(20)17-11-14(3)8-9-19(17)21/h4-11,18,21H,12,20H2,1-3H3/b15-4+.
What are the key properties of 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol?
2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol has a molecular weight of 281.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-amino-3-(3-methylphenyl)pent-3-enyl]-4-methylphenol is sourced from PubChem (CID 139562271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).