1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol

C12H16ClNO — CID 112509934

IUPAC1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-8-14-9-7-12(15)10-3-5-11(13)6-4-10/h2-6,12,14-15H,1,7-9H2
InChIKeyZCLFMCCQYUYMNB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol

1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol (PubChem CID 112509934) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
PubChem CID112509934
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-8-14-9-7-12(15)10-3-5-11(13)6-4-10/h2-6,12,14-15H,1,7-9H2
InChIKeyZCLFMCCQYUYMNB-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-fluorophenyl)-3-(prop-2-enylamino)propan-1-ol
CID 112513182
1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
CID 112509961
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62983688
(1R,4S)-1,4-bis(4-chlorophenyl)hept-6-ene-1,4-diol
CID 101269867
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981656
N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
CID 90499658
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
CID 103603103
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414513
(1R,4S,5S)-1,4-bis(4-chlorophenyl)-5-methylhept-6-ene-1,4-diol
CID 11485346
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol (CID 112509934) is 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol is C=CCNCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol?
The InChIKey is ZCLFMCCQYUYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-8-14-9-7-12(15)10-3-5-11(13)6-4-10/h2-6,12,14-15H,1,7-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol?
1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol has a molecular weight of 225.72 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 112509934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).