(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine

C22H22ClNO — CID 175737754

IUPAC(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
SMILESCOc1ccc(C/C(=C\N(C)C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H22ClNO/c1-24(2)15-18(16-8-11-19(23)12-9-16)14-17-10-13-22(25-3)21-7-5-4-6-20(17)21/h4-13,15H,14H2,1-3H3/b18-15+
InChIKeyGKARWKMOMBGFTL-OBGWFSINSA-N
MW351.88 g/mol
LogP5.65
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine

(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine (PubChem CID 175737754) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
PubChem CID175737754
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
SMILESCOc1ccc(C/C(=C\N(C)C)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H22ClNO/c1-24(2)15-18(16-8-11-19(23)12-9-16)14-17-10-13-22(25-3)21-7-5-4-6-20(17)21/h4-13,15H,14H2,1-3H3/b18-15+
InChIKeyGKARWKMOMBGFTL-OBGWFSINSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
CID 175786339
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
CID 118940116
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
1-chloro-4-methoxynaphthalene
CID 606038
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine (CID 175737754) is (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine is COc1ccc(C/C(=C\N(C)C)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The InChIKey is GKARWKMOMBGFTL-OBGWFSINSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-24(2)15-18(16-8-11-19(23)12-9-16)14-17-10-13-22(25-3)21-7-5-4-6-20(17)21/h4-13,15H,14H2,1-3H3/b18-15+.
What are the key properties of (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine has a molecular weight of 351.88 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 175737754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).