3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol

C16H21N3O — CID 107733916

IUPAC3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
SMILESCCN(Cc1ncc(C)c(N)c1C)c1cccc(O)c1
InChIInChI=1S/C16H21N3O/c1-4-19(13-6-5-7-14(20)8-13)10-15-12(3)16(17)11(2)9-18-15/h5-9,20H,4,10H2,1-3H3,(H2,17,18)
InChIKeyKRELRXWORNGCDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds4

About 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol

3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol (PubChem CID 107733916) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol.

Molecular Properties

Compound Name3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
PubChem CID107733916
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
SMILESCCN(Cc1ncc(C)c(N)c1C)c1cccc(O)c1
InChIInChI=1S/C16H21N3O/c1-4-19(13-6-5-7-14(20)8-13)10-15-12(3)16(17)11(2)9-18-15/h5-9,20H,4,10H2,1-3H3,(H2,17,18)
InChIKeyKRELRXWORNGCDT-UHFFFAOYSA-N
XLogP3.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
CID 99793276
3-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]phenol
CID 86807167
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182152
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-ethylamino]phenol
CID 107733910
3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
CID 107733931
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 103182226
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
ethyl 2-[(N-ethyl-3-hydroxyanilino)methyl]prop-2-enoate
CID 107736751
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol?
The IUPAC name of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol (CID 107733916) is 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol.
What is the SMILES notation for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol?
The canonical SMILES for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol is CCN(Cc1ncc(C)c(N)c1C)c1cccc(O)c1.
What is the InChIKey of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol?
The InChIKey is KRELRXWORNGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19(13-6-5-7-14(20)8-13)10-15-12(3)16(17)11(2)9-18-15/h5-9,20H,4,10H2,1-3H3,(H2,17,18).
What are the key properties of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol?
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol is sourced from PubChem (CID 107733916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).