(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine

C19H18ClNO — CID 127048975

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(Cl)cc1)Cc1cccc2ccoc12
InChIInChI=1S/C19H18ClNO/c1-21(12-3-4-15-7-9-18(20)10-8-15)14-17-6-2-5-16-11-13-22-19(16)17/h2-11,13H,12,14H2,1H3/b4-3+
InChIKeyLQZOKEGXXFKURE-ONEGZZNKSA-N
MW311.81 g/mol
LogP5.23
Rot. Bonds5

About (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 127048975) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
PubChem CID127048975
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(Cl)cc1)Cc1cccc2ccoc12
InChIInChI=1S/C19H18ClNO/c1-21(12-3-4-15-7-9-18(20)10-8-15)14-17-6-2-5-16-11-13-22-19(16)17/h2-11,13H,12,14H2,1H3/b4-3+
InChIKeyLQZOKEGXXFKURE-ONEGZZNKSA-N
XLogP5.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.81
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-fluorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 127048629
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine
CID 127050271
(E)-N-(1-benzofuran-7-ylmethyl)-N-methylbut-2-en-1-amine;hydrochloride
CID 127050911
(E)-N-(1-benzofuran-7-ylmethyl)-N-ethyl-3-phenylprop-2-en-1-amine
CID 127048636
(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine
CID 127050914
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54202558
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 176731953
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 163540078
4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile
CID 176731956

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine (CID 127048975) is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine is CN(C/C=C/c1ccc(Cl)cc1)Cc1cccc2ccoc12.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is LQZOKEGXXFKURE-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-21(12-3-4-15-7-9-18(20)10-8-15)14-17-6-2-5-16-11-13-22-19(16)17/h2-11,13H,12,14H2,1H3/b4-3+.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 311.81 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 127048975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).