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

C24H27NO3 — CID 175786339

IUPAC(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
SMILESCOc1ccc(/C(=C/N(C)C)Cc2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C24H27NO3/c1-25(2)16-19(17-10-13-23(27-4)24(15-17)28-5)14-18-11-12-22(26-3)21-9-7-6-8-20(18)21/h6-13,15-16H,14H2,1-5H3/b19-16+
InChIKeyNVYWMBMEAFUOLJ-KNTRCKAVSA-N
MW377.48 g/mol
LogP5.01
Rot. Bonds7

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

(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine (PubChem CID 175786339) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
PubChem CID175786339
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
SMILESCOc1ccc(/C(=C/N(C)C)Cc2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C24H27NO3/c1-25(2)16-19(17-10-13-23(27-4)24(15-17)28-5)14-18-11-12-22(26-3)21-9-7-6-8-20(18)21/h6-13,15-16H,14H2,1-5H3/b19-16+
InChIKeyNVYWMBMEAFUOLJ-KNTRCKAVSA-N
XLogP5.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-chlorophenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine
CID 175737754
(Z)-2-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
CID 12523502
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
CID 118940116
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
(E)-2-(3,4-dimethoxybenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 14673985
9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
CID 141154302
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
CID 6440762

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine (CID 175786339) is (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine is COc1ccc(/C(=C/N(C)C)Cc2ccc(OC)c3ccccc23)cc1OC.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
The InChIKey is NVYWMBMEAFUOLJ-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H27NO3/c1-25(2)16-19(17-10-13-23(27-4)24(15-17)28-5)14-18-11-12-22(26-3)21-9-7-6-8-20(18)21/h6-13,15-16H,14H2,1-5H3/b19-16+.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine?
(E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine has a molecular weight of 377.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-3-(4-methoxynaphthalen-1-yl)-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 175786339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).