1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

C14H20N2O — CID 114462451

IUPAC1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC1=CCN(CC(O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10,15H2,1H3
InChIKeyNGGFSUIOZFVMSX-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (PubChem CID 114462451) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
PubChem CID114462451
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC1=CCN(CC(O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10,15H2,1H3
InChIKeyNGGFSUIOZFVMSX-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 114460118
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 134158894
ethyl 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine-4-carboxylate
CID 134158951
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol
CID 81460146
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (CID 114462451) is 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is CC1=CCN(CC(O)c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The InChIKey is NGGFSUIOZFVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-8-16(9-7-11)10-14(17)12-2-4-13(15)5-3-12/h2-6,14,17H,7-10,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol has a molecular weight of 232.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is sourced from PubChem (CID 114462451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).