1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol

C18H22F2N2O — CID 111462126

IUPAC1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
SMILESCc1cccnc1C(NCC(O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C18H22F2N2O/c1-11(2)17(18-12(3)5-4-8-21-18)22-10-16(23)13-6-7-14(19)15(20)9-13/h4-9,11,16-17,22-23H,10H2,1-3H3
InChIKeyZSGQRWCIAVHIHY-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.69
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol

1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol (PubChem CID 111462126) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
PubChem CID111462126
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
SMILESCc1cccnc1C(NCC(O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C18H22F2N2O/c1-11(2)17(18-12(3)5-4-8-21-18)22-10-16(23)13-6-7-14(19)15(20)9-13/h4-9,11,16-17,22-23H,10H2,1-3H3
InChIKeyZSGQRWCIAVHIHY-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]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

1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
1-(3,4-difluorophenyl)-2-(1-thiophen-2-ylpropan-2-ylamino)ethanol
CID 63292341
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414440

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol (CID 111462126) is 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol is Cc1cccnc1C(NCC(O)c1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol?
The InChIKey is ZSGQRWCIAVHIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c1-11(2)17(18-12(3)5-4-8-21-18)22-10-16(23)13-6-7-14(19)15(20)9-13/h4-9,11,16-17,22-23H,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol?
1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol has a molecular weight of 320.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol is sourced from PubChem (CID 111462126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).