(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine

C12H14ClN — CID 121011527

IUPAC(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(Cl)C/C=C/c1ccccc1
InChIInChI=1S/C12H14ClN/c1-2-10-14(13)11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyUCMNVVSBKXNTKR-RMKNXTFCSA-N
MW207.70 g/mol
LogP3.34
Rot. Bonds5

About (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine

(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 121011527) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID121011527
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(Cl)C/C=C/c1ccccc1
InChIInChI=1S/C12H14ClN/c1-2-10-14(13)11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyUCMNVVSBKXNTKR-RMKNXTFCSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 10702807
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
CID 173211748
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468

Frequently Asked Questions

What is the IUPAC name of (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine (CID 121011527) is (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine is C=CCN(Cl)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is UCMNVVSBKXNTKR-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14ClN/c1-2-10-14(13)11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+.
What are the key properties of (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine?
(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 207.70 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 121011527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).