(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine

C16H19NO — CID 2430998

IUPAC(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
SMILESC=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/t13-,15+/m0/s1
InChIKeyNLXVBBUYEXXZMJ-DZGCQCFKSA-N
MW241.33 g/mol
LogP4.25
Rot. Bonds6

About (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine

(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine (PubChem CID 2430998) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
PubChem CID2430998
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
SMILESC=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/t13-,15+/m0/s1
InChIKeyNLXVBBUYEXXZMJ-DZGCQCFKSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
2-[(1S)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211094
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
CID 2430997
4-[(1R)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]benzonitrile
CID 101219836
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
N-(1-phenylbut-3-enyl)furan-2-amine chloride
CID 53312740
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine (CID 2430998) is (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine is C=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The InChIKey is NLXVBBUYEXXZMJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-8-15(16-11-7-12-18-16)17-13(2)14-9-5-4-6-10-14/h3-7,9-13,15,17H,1,8H2,2H3/t13-,15+/m0/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine is sourced from PubChem (CID 2430998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).