(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine

C23H29NO — CID 8621893

IUPAC(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO/c1-16(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-21-7-8-22(25-21)20-5-3-2-4-6-20/h2-8,16-19,24H,9-15H2,1H3/t16-,17?,18?,19?,23?/m0/s1
InChIKeyZNQJPIPOTKZLCW-LXGFQCHUSA-N
MW335.49 g/mol
LogP5.64
Rot. Bonds5

About (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine

(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (PubChem CID 8621893) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
PubChem CID8621893
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO/c1-16(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-21-7-8-22(25-21)20-5-3-2-4-6-20/h2-8,16-19,24H,9-15H2,1H3/t16-,17?,18?,19?,23?/m0/s1
InChIKeyZNQJPIPOTKZLCW-LXGFQCHUSA-N
XLogP5.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-adamantyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]ethanamine
CID 8636426
2-[[1-(1-adamantyl)ethylamino]methyl]aniline
CID 66387822
(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 27088604
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine
CID 4723399
2-methyl-N-[(5-phenylfuran-2-yl)methyl]cyclopropan-1-amine
CID 119122257
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
CID 17216751
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
CID 95003395
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
CID 163327971

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (CID 8621893) is (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is C[C@H](NCc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The InChIKey is ZNQJPIPOTKZLCW-LXGFQCHUSA-N. The full InChI is InChI=1S/C23H29NO/c1-16(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-21-7-8-22(25-21)20-5-3-2-4-6-20/h2-8,16-19,24H,9-15H2,1H3/t16-,17?,18?,19?,23?/m0/s1.
What are the key properties of (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine has a molecular weight of 335.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 8621893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).