(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol

C19H23NO2 — CID 134834536

IUPAC(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol
SMILESC=C[C@H]([C@@H](O)c1ccccc1)[C@@](C)(N)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO2/c1-4-17(18(21)14-8-6-5-7-9-14)19(2,20)15-10-12-16(22-3)13-11-15/h4-13,17-18,21H,1,20H2,2-3H3/t17-,18+,19+/m1/s1
InChIKeyBFCYPTNXKIQQIX-QYZOEREBSA-N
MW297.40 g/mol
LogP3.40
Rot. Bonds6

About (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol

(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol (PubChem CID 134834536) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol
PubChem CID134834536
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol
SMILESC=C[C@H]([C@@H](O)c1ccccc1)[C@@](C)(N)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO2/c1-4-17(18(21)14-8-6-5-7-9-14)19(2,20)15-10-12-16(22-3)13-11-15/h4-13,17-18,21H,1,20H2,2-3H3/t17-,18+,19+/m1/s1
InChIKeyBFCYPTNXKIQQIX-QYZOEREBSA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
methyl 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-phenylpent-4-enoate
CID 59927754
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol (CID 134834536) is (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol is C=C[C@H]([C@@H](O)c1ccccc1)[C@@](C)(N)c1ccc(OC)cc1.
What is the InChIKey of (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol?
The InChIKey is BFCYPTNXKIQQIX-QYZOEREBSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-17(18(21)14-8-6-5-7-9-14)19(2,20)15-10-12-16(22-3)13-11-15/h4-13,17-18,21H,1,20H2,2-3H3/t17-,18+,19+/m1/s1.
What are the key properties of (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol?
(1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol has a molecular weight of 297.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(1R)-1-amino-1-(4-methoxyphenyl)ethyl]-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 134834536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).