5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol

C16H24N2O — CID 79600227

IUPAC5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESC=CCN(CC=C)c1ccc(C(C)NCC)c(O)c1
InChIInChI=1S/C16H24N2O/c1-5-10-18(11-6-2)14-8-9-15(16(19)12-14)13(4)17-7-3/h5-6,8-9,12-13,17,19H,1-2,7,10-11H2,3-4H3
InChIKeySWNHFKZHRLQSMJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.24
Rot. Bonds8

About 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol

5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol (PubChem CID 79600227) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
PubChem CID79600227
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESC=CCN(CC=C)c1ccc(C(C)NCC)c(O)c1
InChIInChI=1S/C16H24N2O/c1-5-10-18(11-6-2)14-8-9-15(16(19)12-14)13(4)17-7-3/h5-6,8-9,12-13,17,19H,1-2,7,10-11H2,3-4H3
InChIKeySWNHFKZHRLQSMJ-UHFFFAOYSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
3-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-prop-2-enylaniline
CID 114069204
2-[1-(ethylamino)ethyl]-5-[methyl(3,3,3-trifluoropropyl)amino]phenol
CID 79603229
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
CID 114058766
4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
CID 88729636

Frequently Asked Questions

What is the IUPAC name of 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The IUPAC name of 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol (CID 79600227) is 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol.
What is the SMILES notation for 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The canonical SMILES for 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol is C=CCN(CC=C)c1ccc(C(C)NCC)c(O)c1.
What is the InChIKey of 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The InChIKey is SWNHFKZHRLQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-10-18(11-6-2)14-8-9-15(16(19)12-14)13(4)17-7-3/h5-6,8-9,12-13,17,19H,1-2,7,10-11H2,3-4H3.
What are the key properties of 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol?
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol has a molecular weight of 260.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol is sourced from PubChem (CID 79600227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).