N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine

C17H17NO — CID 54884386

IUPACN-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
SMILESc1coc(CNCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H17NO/c1-2-5-16-12-14(7-8-15(16)4-1)9-10-18-13-17-6-3-11-19-17/h1-8,11-12,18H,9-10,13H2
InChIKeyXRWKLSXSTJBSST-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine

N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine (PubChem CID 54884386) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
PubChem CID54884386
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
SMILESc1coc(CNCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H17NO/c1-2-5-16-12-14(7-8-15(16)4-1)9-10-18-13-17-6-3-11-19-17/h1-8,11-12,18H,9-10,13H2
InChIKeyXRWKLSXSTJBSST-UHFFFAOYSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
1-(furan-2-yl)-N-methyl-3-naphthalen-2-ylpropan-2-amine
CID 105177393
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine (CID 54884386) is N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine is c1coc(CNCCc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine?
The InChIKey is XRWKLSXSTJBSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-5-16-12-14(7-8-15(16)4-1)9-10-18-13-17-6-3-11-19-17/h1-8,11-12,18H,9-10,13H2.
What are the key properties of N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine?
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 54884386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).