5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol

C19H25NO — CID 60988135

IUPAC5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)NCC(C)(C)c2ccccc2)c(O)c1
InChIInChI=1S/C19H25NO/c1-14-10-11-17(18(21)12-14)15(2)20-13-19(3,4)16-8-6-5-7-9-16/h5-12,15,20-21H,13H2,1-4H3
InChIKeyYPNIGGLTNMVMSY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds5

About 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol

5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol (PubChem CID 60988135) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
PubChem CID60988135
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)NCC(C)(C)c2ccccc2)c(O)c1
InChIInChI=1S/C19H25NO/c1-14-10-11-17(18(21)12-14)15(2)20-13-19(3,4)16-8-6-5-7-9-16/h5-12,15,20-21H,13H2,1-4H3
InChIKeyYPNIGGLTNMVMSY-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

MK-4815
CID 10354063
N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
2-[({2-[2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}amino)methyl]phenol
CID 3706362
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
GNF-Pf-5310
CID 241056
2-{[(2-Adamantanylethyl)amino]methyl}phenol
CID 2921482
(R)-2-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 46890321
3-[(1R,5R)-8-[(4-tert-butylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 137645396

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol (CID 60988135) is 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol is Cc1ccc(C(C)NCC(C)(C)c2ccccc2)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol?
The InChIKey is YPNIGGLTNMVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-10-11-17(18(21)12-14)15(2)20-13-19(3,4)16-8-6-5-7-9-16/h5-12,15,20-21H,13H2,1-4H3.
What are the key properties of 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol?
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol is sourced from PubChem (CID 60988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).