(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine

C15H19NO2 — CID 81371559

IUPAC(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-11(13-6-8-14(17-3)9-7-13)16-12(2)15-5-4-10-18-15/h4-12,16H,1-3H3/t11-,12?/m0/s1
InChIKeyOZNKZWJEJXLXMD-PXYINDEMSA-N
MW245.32 g/mol
LogP3.70
Rot. Bonds5

About (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine

(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371559) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81371559
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-11(13-6-8-14(17-3)9-7-13)16-12(2)15-5-4-10-18-15/h4-12,16H,1-3H3/t11-,12?/m0/s1
InChIKeyOZNKZWJEJXLXMD-PXYINDEMSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 81403664
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 81371559) is (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NC(C)c2ccco2)cc1.
What is the InChIKey of (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is OZNKZWJEJXLXMD-PXYINDEMSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(13-6-8-14(17-3)9-7-13)16-12(2)15-5-4-10-18-15/h4-12,16H,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).