[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol

C13H16ClNO — CID 114845097

IUPAC[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
SMILESC=CCN(CC=C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-9-12(14)6-5-11(13)10-16/h3-6,9,16H,1-2,7-8,10H2
InChIKeyIRYQXZCDUSFJIY-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.01
Rot. Bonds6

About [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol

[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol (PubChem CID 114845097) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
PubChem CID114845097
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
SMILESC=CCN(CC=C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-9-12(14)6-5-11(13)10-16/h3-6,9,16H,1-2,7-8,10H2
InChIKeyIRYQXZCDUSFJIY-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.01
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

N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol
CID 81152411
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
2,5-dichloro-N-methyl-N-prop-2-enylaniline
CID 130605525
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol
CID 78939072
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
[4-[bis(prop-2-enyl)amino]-2-fluoro-5-nitrophenyl]methanol
CID 59395155
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
CID 114845516
[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol (CID 114845097) is [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol is C=CCN(CC=C)c1cc(Cl)ccc1CO.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol?
The InChIKey is IRYQXZCDUSFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-9-12(14)6-5-11(13)10-16/h3-6,9,16H,1-2,7-8,10H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol?
[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol has a molecular weight of 237.73 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol is sourced from PubChem (CID 114845097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).