1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol

C23H31NO3 — CID 55703546

IUPAC1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
SMILESC/C=C/c1ccc(OCC(O)CN(C)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H31NO3/c1-4-9-20-13-14-22(23(16-20)26-3)27-18-21(25)17-24(2)15-8-12-19-10-6-5-7-11-19/h4-7,9-11,13-14,16,21,25H,8,12,15,17-18H2,1-3H3/b9-4+
InChIKeyBAUVJGCRPQDNMX-RUDMXATFSA-N
MW369.51 g/mol
LogP4.03
Rot. Bonds11

About 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol

1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol (PubChem CID 55703546) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
PubChem CID55703546
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
SMILESC/C=C/c1ccc(OCC(O)CN(C)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H31NO3/c1-4-9-20-13-14-22(23(16-20)26-3)27-18-21(25)17-24(2)15-8-12-19-10-6-5-7-11-19/h4-7,9-11,13-14,16,21,25H,8,12,15,17-18H2,1-3H3/b9-4+
InChIKeyBAUVJGCRPQDNMX-RUDMXATFSA-N
XLogP4.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol
CID 55436564
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 2510300
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 24534341
cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 7830788
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
[(2R)-1-hydroxybutan-2-yl]-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 7998341
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
CID 51283429
(E)-3-[4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 11236443

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol (CID 55703546) is 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol is C/C=C/c1ccc(OCC(O)CN(C)CCCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol?
The InChIKey is BAUVJGCRPQDNMX-RUDMXATFSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-9-20-13-14-22(23(16-20)26-3)27-18-21(25)17-24(2)15-8-12-19-10-6-5-7-11-19/h4-7,9-11,13-14,16,21,25H,8,12,15,17-18H2,1-3H3/b9-4+.
What are the key properties of 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol?
1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol has a molecular weight of 369.51 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol is sourced from PubChem (CID 55703546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).