(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol

C15H24N2O — CID 79318960

IUPAC(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CC2CCCN2C)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-6-8-14(9-7-13)17(3)11-15-5-4-10-16(15)2/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m0/s1
InChIKeyDOVVIWIHTHQRHY-SFVWDYPZSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds4

About (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol

(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol (PubChem CID 79318960) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
PubChem CID79318960
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CC2CCCN2C)cc1
InChIInChI=1S/C15H24N2O/c1-12(18)13-6-8-14(9-7-13)17(3)11-15-5-4-10-16(15)2/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m0/s1
InChIKeyDOVVIWIHTHQRHY-SFVWDYPZSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol 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

(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
(1S)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79319971
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
3-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 79319739
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79308781
1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 43505995
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol (CID 79318960) is (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol is C[C@H](O)c1ccc(N(C)CC2CCCN2C)cc1.
What is the InChIKey of (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol?
The InChIKey is DOVVIWIHTHQRHY-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)13-6-8-14(9-7-13)17(3)11-15-5-4-10-16(15)2/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m0/s1.
What are the key properties of (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol?
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 79318960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).