anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol

C16H18N2O — CID 142852198

IUPACanilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol
SMILESOC(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H18N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9,16-17,19H,10-12H2
InChIKeyFWHYQIKEVAHVKI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.43
Rot. Bonds3

About anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol

anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol (PubChem CID 142852198) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol.

Molecular Properties

Compound Nameanilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol
PubChem CID142852198
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nameanilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol
SMILESOC(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H18N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9,16-17,19H,10-12H2
InChIKeyFWHYQIKEVAHVKI-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110926321
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylbutan-2-amine
CID 43829488
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-phenylurea
CID 7525915
2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 2576635
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280

Frequently Asked Questions

What is the IUPAC name of anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol?
The IUPAC name of anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol (CID 142852198) is anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol.
What is the SMILES notation for anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol?
The canonical SMILES for anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol is OC(Nc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol?
The InChIKey is FWHYQIKEVAHVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9,16-17,19H,10-12H2.
What are the key properties of anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol?
anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino(3,4-dihydro-1H-isoquinolin-2-yl)methanol is sourced from PubChem (CID 142852198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).