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

C19H23NO — CID 10802793

IUPAC(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
SMILESC=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H23NO/c1-4-10-18(17-13-8-9-14-19(17)21-3)20-15(2)16-11-6-5-7-12-16/h4-9,11-15,18,20H,1,10H2,2-3H3/t15-,18+/m0/s1
InChIKeyDNUBCGRWRSVLPC-MAUKXSAKSA-N
MW281.40 g/mol
LogP4.66
Rot. Bonds7

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

(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine (PubChem CID 10802793) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
PubChem CID10802793
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
SMILESC=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H23NO/c1-4-10-18(17-13-8-9-14-19(17)21-3)20-15(2)16-11-6-5-7-12-16/h4-9,11-15,18,20H,1,10H2,2-3H3/t15-,18+/m0/s1
InChIKeyDNUBCGRWRSVLPC-MAUKXSAKSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.66
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

2-[(1S)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211094
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 2430998
4-[(1R)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]benzonitrile
CID 101219836
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
N-[(1R)-1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 7061567
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81390162
N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 67729251
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
CID 10688744

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine (CID 10802793) is (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine is C=CC[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1OC.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
The InChIKey is DNUBCGRWRSVLPC-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-10-18(17-13-8-9-14-19(17)21-3)20-15(2)16-11-6-5-7-12-16/h4-9,11-15,18,20H,1,10H2,2-3H3/t15-,18+/m0/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine?
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine is sourced from PubChem (CID 10802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).