1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol

C16H24N2O2 — CID 82071253

IUPAC1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-4-9-18(10-5-2)11-8-15(19)13-6-7-16(20-3)14(17)12-13/h4-7,12,15,19H,1-2,8-11,17H2,3H3
InChIKeyOAZSENUBVOTVJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds9

About 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol

1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol (PubChem CID 82071253) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
PubChem CID82071253
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-4-9-18(10-5-2)11-8-15(19)13-6-7-16(20-3)14(17)12-13/h4-7,12,15,19H,1-2,8-11,17H2,3H3
InChIKeyOAZSENUBVOTVJR-UHFFFAOYSA-N
XLogP2.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82073670
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
CID 112513189
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
CID 112513617
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one
CID 82256661
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol (CID 82071253) is 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol is C=CCN(CC=C)CCC(O)c1ccc(OC)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol?
The InChIKey is OAZSENUBVOTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-9-18(10-5-2)11-8-15(19)13-6-7-16(20-3)14(17)12-13/h4-7,12,15,19H,1-2,8-11,17H2,3H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol?
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 82071253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).