2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol

C24H28N2O3 — CID 137306960

IUPAC2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCCCO)n2)c1
InChIInChI=1S/C24H28N2O3/c1-16(2)29-20-8-6-18(7-9-20)19-14-22(21-13-17(3)5-10-23(21)28)26-24(15-19)25-11-4-12-27/h5-10,13-16,27-28H,4,11-12H2,1-3H3,(H,25,26)
InChIKeyGIAMLNFNYBVHMU-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.01
Rot. Bonds8

About 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol

2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol (PubChem CID 137306960) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
PubChem CID137306960
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCCCO)n2)c1
InChIInChI=1S/C24H28N2O3/c1-16(2)29-20-8-6-18(7-9-20)19-14-22(21-13-17(3)5-10-23(21)28)26-24(15-19)25-11-4-12-27/h5-10,13-16,27-28H,4,11-12H2,1-3H3,(H,25,26)
InChIKeyGIAMLNFNYBVHMU-UHFFFAOYSA-N
XLogP5.01
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[3-(Aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
CID 146025972
7-{3-(Aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
CID 146025973
6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
(2-{4-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid
CID 10132697
(2,2-Dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-phenyl}cyclopropyl)acetic acid
CID 22347519
7-[3-(Aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
CID 146025971
1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyridin-2-ylamine
CID 9796600
3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-phenyl}-butyric acid
CID 9953715
6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)-pyridin-2-ylamine
CID 10214800
6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-naphthalen-1-yl]-pyridin-2-ylamine
CID 10358114

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The IUPAC name of 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol (CID 137306960) is 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol.
What is the SMILES notation for 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The canonical SMILES for 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCCCO)n2)c1.
What is the InChIKey of 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The InChIKey is GIAMLNFNYBVHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(2)29-20-8-6-18(7-9-20)19-14-22(21-13-17(3)5-10-23(21)28)26-24(15-19)25-11-4-12-27/h5-10,13-16,27-28H,4,11-12H2,1-3H3,(H,25,26).
What are the key properties of 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol has a molecular weight of 392.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxypropylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol is sourced from PubChem (CID 137306960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).