[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine

C17H21NO2 — CID 62457498

IUPAC[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COC1CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-12-14(9-15(10-18)20-12)11-19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9,17H,4,6,8,10-11,18H2,1H3
InChIKeyTUKXPUIBXRBERG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds4

About [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine

[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine (PubChem CID 62457498) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
PubChem CID62457498
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COC1CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-12-14(9-15(10-18)20-12)11-19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9,17H,4,6,8,10-11,18H2,1H3
InChIKeyTUKXPUIBXRBERG-UHFFFAOYSA-N
XLogP3.64
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
CID 80654849
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-2-amine
CID 62465313
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine
CID 62456342
3,5-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-4-amine
CID 103183059
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine (CID 62457498) is [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine is Cc1oc(CN)cc1COC1CCCc2ccccc21.
What is the InChIKey of [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is TUKXPUIBXRBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-14(9-15(10-18)20-12)11-19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9,17H,4,6,8,10-11,18H2,1H3.
What are the key properties of [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62457498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).