[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol

C16H21N3O — CID 58401575

IUPAC[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol
SMILESCNCc1cccc(-c2cc(CO)ccn2)c1CNC
InChIInChI=1S/C16H21N3O/c1-17-9-13-4-3-5-14(15(13)10-18-2)16-8-12(11-20)6-7-19-16/h3-8,17-18,20H,9-11H2,1-2H3
InChIKeyGQRLVYQSXWVMRD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.68
Rot. Bonds6

About [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol

[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol (PubChem CID 58401575) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol
PubChem CID58401575
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol
SMILESCNCc1cccc(-c2cc(CO)ccn2)c1CNC
InChIInChI=1S/C16H21N3O/c1-17-9-13-4-3-5-14(15(13)10-18-2)16-8-12(11-20)6-7-19-16/h3-8,17-18,20H,9-11H2,1-2H3
InChIKeyGQRLVYQSXWVMRD-UHFFFAOYSA-N
XLogP1.68
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol (CID 58401575) is [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol is CNCc1cccc(-c2cc(CO)ccn2)c1CNC.
What is the InChIKey of [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol?
The InChIKey is GQRLVYQSXWVMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-9-13-4-3-5-14(15(13)10-18-2)16-8-12(11-20)6-7-19-16/h3-8,17-18,20H,9-11H2,1-2H3.
What are the key properties of [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol?
[2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,3-bis(methylaminomethyl)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 58401575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).