1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C17H19ClN2O — CID 111916624

IUPAC1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(CNCc2ccc(Cl)nc2)CCCc2ccccc21
InChIInChI=1S/C17H19ClN2O/c18-16-8-7-13(11-20-16)10-19-12-17(21)9-3-5-14-4-1-2-6-15(14)17/h1-2,4,6-8,11,19,21H,3,5,9-10,12H2
InChIKeyOYWLILMWLMLAGJ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.05
Rot. Bonds4

About 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 111916624) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID111916624
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(CNCc2ccc(Cl)nc2)CCCc2ccccc21
InChIInChI=1S/C17H19ClN2O/c18-16-8-7-13(11-20-16)10-19-12-17(21)9-3-5-14-4-1-2-6-15(14)17/h1-2,4,6-8,11,19,21H,3,5,9-10,12H2
InChIKeyOYWLILMWLMLAGJ-UHFFFAOYSA-N
XLogP3.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83067632
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662
1-[[(5-nitrothiophen-3-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110382
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110353
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 109481925
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110350
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 111916624) is 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is OC1(CNCc2ccc(Cl)nc2)CCCc2ccccc21.
What is the InChIKey of 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is OYWLILMWLMLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-8-7-13(11-20-16)10-19-12-17(21)9-3-5-14-4-1-2-6-15(14)17/h1-2,4,6-8,11,19,21H,3,5,9-10,12H2.
What are the key properties of 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 302.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 111916624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).