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

C14H19NO — CID 83794067

IUPAC[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
SMILESC=CCN(CC=C)Cc1ccc(CO)cc1
InChIInChI=1S/C14H19NO/c1-3-9-15(10-4-2)11-13-5-7-14(12-16)8-6-13/h3-8,16H,1-2,9-12H2
InChIKeyTXUQFWMTBOWUFT-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.35
Rot. Bonds7

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

[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol (PubChem CID 83794067) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
PubChem CID83794067
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
SMILESC=CCN(CC=C)Cc1ccc(CO)cc1
InChIInChI=1S/C14H19NO/c1-3-9-15(10-4-2)11-13-5-7-14(12-16)8-6-13/h3-8,16H,1-2,9-12H2
InChIKeyTXUQFWMTBOWUFT-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.35
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

methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 15932105
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
(1R,3S)-1-[4-(hydroxymethyl)phenyl]-4-[methyl(prop-2-enyl)amino]butane-1,3-diol
CID 6681434
2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 79277413
2-[4-[[bis(prop-2-enyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160338

Frequently Asked Questions

What is the IUPAC name of [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol (CID 83794067) is [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol is C=CCN(CC=C)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol?
The InChIKey is TXUQFWMTBOWUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-9-15(10-4-2)11-13-5-7-14(12-16)8-6-13/h3-8,16H,1-2,9-12H2.
What are the key properties of [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol?
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 83794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).