[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol

C23H28N4O — CID 58997018

IUPAC[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol
SMILESCc1cccnc1CN(Cc1ccc(CN)cc1CO)Cc1ncccc1C
InChIInChI=1S/C23H28N4O/c1-17-5-3-9-25-22(17)14-27(15-23-18(2)6-4-10-26-23)13-20-8-7-19(12-24)11-21(20)16-28/h3-11,28H,12-16,24H2,1-2H3
InChIKeyASDXXOZROHEDLX-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.25
Rot. Bonds8

About [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol

[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol (PubChem CID 58997018) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol
PubChem CID58997018
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol
SMILESCc1cccnc1CN(Cc1ccc(CN)cc1CO)Cc1ncccc1C
InChIInChI=1S/C23H28N4O/c1-17-5-3-9-25-22(17)14-27(15-23-18(2)6-4-10-26-23)13-20-8-7-19(12-24)11-21(20)16-28/h3-11,28H,12-16,24H2,1-2H3
InChIKeyASDXXOZROHEDLX-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol (CID 58997018) is [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol is Cc1cccnc1CN(Cc1ccc(CN)cc1CO)Cc1ncccc1C.
What is the InChIKey of [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol?
The InChIKey is ASDXXOZROHEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-5-3-9-25-22(17)14-27(15-23-18(2)6-4-10-26-23)13-20-8-7-19(12-24)11-21(20)16-28/h3-11,28H,12-16,24H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol?
[5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol has a molecular weight of 376.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 58997018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).