N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

C20H28N2O3 — CID 91665629

IUPACN-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCc2cnc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(5-6-16-7-9-18(23-2)10-8-16)21-12-11-17-13-19(24-3)20(25-4)22-14-17/h7-10,13-15,21H,5-6,11-12H2,1-4H3
InChIKeyACKWQFUGEZYHAY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.26
Rot. Bonds10

About N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 91665629) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
PubChem CID91665629
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCc2cnc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(5-6-16-7-9-18(23-2)10-8-16)21-12-11-17-13-19(24-3)20(25-4)22-14-17/h7-10,13-15,21H,5-6,11-12H2,1-4H3
InChIKeyACKWQFUGEZYHAY-UHFFFAOYSA-N
XLogP3.26
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (CID 91665629) is N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCCc2cnc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is ACKWQFUGEZYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(5-6-16-7-9-18(23-2)10-8-16)21-12-11-17-13-19(24-3)20(25-4)22-14-17/h7-10,13-15,21H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 344.46 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 91665629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).