(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C16H18N2O — CID 106695855

IUPAC(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESNc1cccc(C(O)C2CCCc3cccnc32)c1
InChIInChI=1S/C16H18N2O/c17-13-7-1-5-12(10-13)16(19)14-8-2-4-11-6-3-9-18-15(11)14/h1,3,5-7,9-10,14,16,19H,2,4,8,17H2
InChIKeyIIXDCWSQSHHKEH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.82
Rot. Bonds2

About (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 106695855) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID106695855
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESNc1cccc(C(O)C2CCCc3cccnc32)c1
InChIInChI=1S/C16H18N2O/c17-13-7-1-5-12(10-13)16(19)14-8-2-4-11-6-3-9-18-15(11)14/h1,3,5-7,9-10,14,16,19H,2,4,8,17H2
InChIKeyIIXDCWSQSHHKEH-UHFFFAOYSA-N
XLogP2.82
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
CID 115819532
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 106695855) is (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is Nc1cccc(C(O)C2CCCc3cccnc32)c1.
What is the InChIKey of (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is IIXDCWSQSHHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-13-7-1-5-12(10-13)16(19)14-8-2-4-11-6-3-9-18-15(11)14/h1,3,5-7,9-10,14,16,19H,2,4,8,17H2.
What are the key properties of (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 106695855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).