[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol

C17H21NO2 — CID 79135340

IUPAC[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CCc3ccccc3C2)o1
InChIInChI=1S/C17H21NO2/c1-12-6-7-15(20-12)16(19)17(11-18)9-8-13-4-2-3-5-14(13)10-17/h2-7,16,19H,8-11,18H2,1H3
InChIKeyRNMKWGLHNDOGKP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds3

About [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol

[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol (PubChem CID 79135340) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
PubChem CID79135340
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CCc3ccccc3C2)o1
InChIInChI=1S/C17H21NO2/c1-12-6-7-15(20-12)16(19)17(11-18)9-8-13-4-2-3-5-14(13)10-17/h2-7,16,19H,8-11,18H2,1H3
InChIKeyRNMKWGLHNDOGKP-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol?
The IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol (CID 79135340) is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol is Cc1ccc(C(O)C2(CN)CCc3ccccc3C2)o1.
What is the InChIKey of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol?
The InChIKey is RNMKWGLHNDOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-6-7-15(20-12)16(19)17(11-18)9-8-13-4-2-3-5-14(13)10-17/h2-7,16,19H,8-11,18H2,1H3.
What are the key properties of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol?
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 79135340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).