3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol

C18H25N3O2 — CID 57000752

IUPAC3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol
SMILESCC(C)(CCc1cccc(O)c1)NCc1nc(N)ccc1CO
InChIInChI=1S/C18H25N3O2/c1-18(2,9-8-13-4-3-5-15(23)10-13)20-11-16-14(12-22)6-7-17(19)21-16/h3-7,10,20,22-23H,8-9,11-12H2,1-2H3,(H2,19,21)
InChIKeyRHDWHQDJHGRQBB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds7

About 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol

3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol (PubChem CID 57000752) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol.

Molecular Properties

Compound Name3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol
PubChem CID57000752
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol
SMILESCC(C)(CCc1cccc(O)c1)NCc1nc(N)ccc1CO
InChIInChI=1S/C18H25N3O2/c1-18(2,9-8-13-4-3-5-15(23)10-13)20-11-16-14(12-22)6-7-17(19)21-16/h3-7,10,20,22-23H,8-9,11-12H2,1-2H3,(H2,19,21)
InChIKeyRHDWHQDJHGRQBB-UHFFFAOYSA-N
XLogP2.36
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
CID 28725427
3-(3-amino-3-methylbutyl)phenol
CID 19863682
(3S)-N'-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[2-(3-hydroxyphenyl)ethylamino]-3-methyl-2-(2-phenylethyl)butanediamide
CID 153286693
4-chloro-2-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621723
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide
CID 156851544
3-(2-aminooxyethyl)phenol
CID 83479668
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
3-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol
CID 59364838
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol?
The IUPAC name of 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol (CID 57000752) is 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol.
What is the SMILES notation for 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol?
The canonical SMILES for 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol is CC(C)(CCc1cccc(O)c1)NCc1nc(N)ccc1CO.
What is the InChIKey of 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol?
The InChIKey is RHDWHQDJHGRQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,9-8-13-4-3-5-15(23)10-13)20-11-16-14(12-22)6-7-17(19)21-16/h3-7,10,20,22-23H,8-9,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol?
3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol has a molecular weight of 315.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol is sourced from PubChem (CID 57000752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).