[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol

C17H23N3O — CID 167908436

IUPAC[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol
SMILESCN(C)CCN(C)c1ccc(-c2cc(CO)ccn2)cc1
InChIInChI=1S/C17H23N3O/c1-19(2)10-11-20(3)16-6-4-15(5-7-16)17-12-14(13-21)8-9-18-17/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyFBIKLLOYCNGSCB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.24
Rot. Bonds6

About [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol

[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol (PubChem CID 167908436) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol
PubChem CID167908436
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol
SMILESCN(C)CCN(C)c1ccc(-c2cc(CO)ccn2)cc1
InChIInChI=1S/C17H23N3O/c1-19(2)10-11-20(3)16-6-4-15(5-7-16)17-12-14(13-21)8-9-18-17/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyFBIKLLOYCNGSCB-UHFFFAOYSA-N
XLogP2.24
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol (CID 167908436) is [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol is CN(C)CCN(C)c1ccc(-c2cc(CO)ccn2)cc1.
What is the InChIKey of [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol?
The InChIKey is FBIKLLOYCNGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)10-11-20(3)16-6-4-15(5-7-16)17-12-14(13-21)8-9-18-17/h4-9,12,21H,10-11,13H2,1-3H3.
What are the key properties of [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol?
[2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 167908436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).