1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C17H21NO2 — CID 111466662

IUPAC1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1ccoc1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-13-8-10-20-16(13)11-18-12-17(19)9-4-6-14-5-2-3-7-15(14)17/h2-3,5,7-8,10,18-19H,4,6,9,11-12H2,1H3
InChIKeyWTFDEMKDXUMBTI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds4

About 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 111466662) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID111466662
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1ccoc1CNCC1(O)CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-13-8-10-20-16(13)11-18-12-17(19)9-4-6-14-5-2-3-7-15(14)17/h2-3,5,7-8,10,18-19H,4,6,9,11-12H2,1H3
InChIKeyWTFDEMKDXUMBTI-UHFFFAOYSA-N
XLogP2.90
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110353
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110350
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111916624
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 109481925
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 111466662) is 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is Cc1ccoc1CNCC1(O)CCCc2ccccc21.
What is the InChIKey of 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is WTFDEMKDXUMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-8-10-20-16(13)11-18-12-17(19)9-4-6-14-5-2-3-7-15(14)17/h2-3,5,7-8,10,18-19H,4,6,9,11-12H2,1H3.
What are the key properties of 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 111466662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).