2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol

C13H21FN2O — CID 55245379

IUPAC2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)NCCN(C)C)cc1F
InChIInChI=1S/C13H21FN2O/c1-10-4-5-11(8-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3
InChIKeyVSKSDMAEGISSHM-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.32
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol

2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 55245379) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
PubChem CID55245379
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)NCCN(C)C)cc1F
InChIInChI=1S/C13H21FN2O/c1-10-4-5-11(8-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3
InChIKeyVSKSDMAEGISSHM-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)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

2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 61053912
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol (CID 55245379) is 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol is Cc1ccc(C(CO)NCCN(C)C)cc1F.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is VSKSDMAEGISSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10-4-5-11(8-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol?
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 55245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).