1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol

C19H26N2O2 — CID 119128600

IUPAC1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CNCC(C)(C)O)cc(C)c1OCc1ccccn1
InChIInChI=1S/C19H26N2O2/c1-14-9-16(11-20-13-19(3,4)22)10-15(2)18(14)23-12-17-7-5-6-8-21-17/h5-10,20,22H,11-13H2,1-4H3
InChIKeyKBOGWYJUPFCCNT-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds7

About 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol

1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol (PubChem CID 119128600) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
PubChem CID119128600
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CNCC(C)(C)O)cc(C)c1OCc1ccccn1
InChIInChI=1S/C19H26N2O2/c1-14-9-16(11-20-13-19(3,4)22)10-15(2)18(14)23-12-17-7-5-6-8-21-17/h5-10,20,22H,11-13H2,1-4H3
InChIKeyKBOGWYJUPFCCNT-UHFFFAOYSA-N
XLogP3.14
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]pentanenitrile
CID 119115265
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylcyclopropan-1-amine
CID 119122246
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123091
3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122037230
1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55684027
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
CID 62059227
1-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128562

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol (CID 119128600) is 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol is Cc1cc(CNCC(C)(C)O)cc(C)c1OCc1ccccn1.
What is the InChIKey of 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The InChIKey is KBOGWYJUPFCCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-9-16(11-20-13-19(3,4)22)10-15(2)18(14)23-12-17-7-5-6-8-21-17/h5-10,20,22H,11-13H2,1-4H3.
What are the key properties of 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 119128600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).