N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline

C19H25NO3 — CID 15696379

IUPACN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
SMILESCOc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h8-13H,6-7H2,1-5H3
InChIKeyPHFSXZADLXBMFQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.56
Rot. Bonds7

About N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline

N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline (PubChem CID 15696379) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
PubChem CID15696379
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
SMILESCOc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h8-13H,6-7H2,1-5H3
InChIKeyPHFSXZADLXBMFQ-UHFFFAOYSA-N
XLogP3.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline (CID 15696379) is N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline is COc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The InChIKey is PHFSXZADLXBMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h8-13H,6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 15696379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).