(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine

C17H17NO — CID 81403197

IUPAC(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C17H17NO/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyLUXDCSYTNXDMHB-ZDUSSCGKSA-N
MW251.33 g/mol
LogP4.28
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine

(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 81403197) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID81403197
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C17H17NO/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyLUXDCSYTNXDMHB-ZDUSSCGKSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 81403197) is (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine is C[C@H](NCc1cccc2ccccc12)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is LUXDCSYTNXDMHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 81403197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).