4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol

C19H25NO — CID 43504749

IUPAC4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-14-9-12-19(21)18(13-14)16(3)20-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-21H,10-11H2,1-3H3
InChIKeyKBCYHCYKNVTRJG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds6

About 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol

4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol (PubChem CID 43504749) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
PubChem CID43504749
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-14-9-12-19(21)18(13-14)16(3)20-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-21H,10-11H2,1-3H3
InChIKeyKBCYHCYKNVTRJG-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
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

N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
4-methyl-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 113429527
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82775803
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82963507
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol (CID 43504749) is 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol is Cc1ccc(O)c(C(C)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol?
The InChIKey is KBCYHCYKNVTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-9-12-19(21)18(13-14)16(3)20-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-21H,10-11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol?
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43504749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).