(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine

C16H23NO2 — CID 98474954

IUPAC(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
SMILESCOc1ccccc1/C=C\CN[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C16H23NO2/c1-13(15-10-6-12-19-15)17-11-5-8-14-7-3-4-9-16(14)18-2/h3-5,7-9,13,15,17H,6,10-12H2,1-2H3/b8-5-/t13-,15+/m1/s1
InChIKeySJNWXVCHVFBTGA-DBVFPWQWSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds6

About (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine

(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine (PubChem CID 98474954) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
PubChem CID98474954
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
SMILESCOc1ccccc1/C=C\CN[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C16H23NO2/c1-13(15-10-6-12-19-15)17-11-5-8-14-7-3-4-9-16(14)18-2/h3-5,7-9,13,15,17H,6,10-12H2,1-2H3/b8-5-/t13-,15+/m1/s1
InChIKeySJNWXVCHVFBTGA-DBVFPWQWSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine with MolForge

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Related Compounds

N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
CID 126823830
1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
CID 142701134
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
CID 54938328
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62555855

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine (CID 98474954) is (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine is COc1ccccc1/C=C\CN[C@H](C)[C@@H]1CCCO1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine?
The InChIKey is SJNWXVCHVFBTGA-DBVFPWQWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(15-10-6-12-19-15)17-11-5-8-14-7-3-4-9-16(14)18-2/h3-5,7-9,13,15,17H,6,10-12H2,1-2H3/b8-5-/t13-,15+/m1/s1.
What are the key properties of (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine?
(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 98474954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).