(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine

C16H18N4O — CID 79013841

IUPAC(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine
SMILESC[C@@H](N)c1ccc2ccccc2c1OCc1ncnn1C
InChIInChI=1S/C16H18N4O/c1-11(17)13-8-7-12-5-3-4-6-14(12)16(13)21-9-15-18-10-19-20(15)2/h3-8,10-11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyGUQRVEYWQMLENK-LLVKDONJSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds4

About (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine

(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine (PubChem CID 79013841) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine
PubChem CID79013841
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine
SMILESC[C@@H](N)c1ccc2ccccc2c1OCc1ncnn1C
InChIInChI=1S/C16H18N4O/c1-11(17)13-8-7-12-5-3-4-6-14(12)16(13)21-9-15-18-10-19-20(15)2/h3-8,10-11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyGUQRVEYWQMLENK-LLVKDONJSA-N
XLogP2.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(pyridin-3-ylmethoxy)naphthalen-2-yl]ethanamine
CID 43475190
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
1-[1-(thiophen-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 60889983
(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
CID 103953958
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368469
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368464
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine (CID 79013841) is (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine is C[C@@H](N)c1ccc2ccccc2c1OCc1ncnn1C.
What is the InChIKey of (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine?
The InChIKey is GUQRVEYWQMLENK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(17)13-8-7-12-5-3-4-6-14(12)16(13)21-9-15-18-10-19-20(15)2/h3-8,10-11H,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine?
(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine is sourced from PubChem (CID 79013841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).