(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C19H26FNO — CID 2261131

IUPAC(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)C[C@H](C)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/t14-/m0/s1
InChIKeyUHIHTYFLLFIMGT-AWEZNQCLSA-N
MW303.42 g/mol
LogP4.62
Rot. Bonds7

About (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2261131) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2261131
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Name(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)C[C@H](C)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/t14-/m0/s1
InChIKeyUHIHTYFLLFIMGT-AWEZNQCLSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 2954718
N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
CID 3532483
N-(4-fluorobenzyl)-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 3606576
(4-Fluoro-benzyl)-(3-furan-2-yl-4-phenyl-butyl)-amine
CID 3751836
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 3972597
N-(sec-butyl)-3-(2-furyl)-2-phenylacrylamide
CID 5350394
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 665239
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
CID 4209474
N-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 2939671
1-(Benzofuran-2-yl)-2-propylaminopentane
CID 9859674

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2261131) is (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is Cc1ccc(C(C)(C)C[C@H](C)NCCc2cccc(F)c2)o1.
What is the InChIKey of (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is UHIHTYFLLFIMGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
(2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 303.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2261131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).