2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol

C20H28N2O — CID 70756428

IUPAC2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol
SMILESCC(c1ccccn1)N(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C20H28N2O/c1-16(19-7-5-6-14-21-19)22(4)15-18-10-8-17(9-11-18)12-13-20(2,3)23/h5-11,14,16,23H,12-13,15H2,1-4H3
InChIKeyPVEIPQDOFXHKTR-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.98
Rot. Bonds7

About 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol

2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol (PubChem CID 70756428) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol
PubChem CID70756428
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol
SMILESCC(c1ccccn1)N(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C20H28N2O/c1-16(19-7-5-6-14-21-19)22(4)15-18-10-8-17(9-11-18)12-13-20(2,3)23/h5-11,14,16,23H,12-13,15H2,1-4H3
InChIKeyPVEIPQDOFXHKTR-UHFFFAOYSA-N
XLogP3.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol (CID 70756428) is 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol is CC(c1ccccn1)N(C)Cc1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol?
The InChIKey is PVEIPQDOFXHKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16(19-7-5-6-14-21-19)22(4)15-18-10-8-17(9-11-18)12-13-20(2,3)23/h5-11,14,16,23H,12-13,15H2,1-4H3.
What are the key properties of 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol has a molecular weight of 312.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]butan-2-ol is sourced from PubChem (CID 70756428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).