2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline

C13H22N2O2 — CID 170865977

IUPAC2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
SMILESCOc1ccc(OC)c(CCCN(C)C)c1N
InChIInChI=1S/C13H22N2O2/c1-15(2)9-5-6-10-11(16-3)7-8-12(17-4)13(10)14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyPOTHEWPFJHCUJT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.78
Rot. Bonds6

About 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline

2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline (PubChem CID 170865977) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
PubChem CID170865977
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
SMILESCOc1ccc(OC)c(CCCN(C)C)c1N
InChIInChI=1S/C13H22N2O2/c1-15(2)9-5-6-10-11(16-3)7-8-12(17-4)13(10)14/h7-8H,5-6,9,14H2,1-4H3
InChIKeyPOTHEWPFJHCUJT-UHFFFAOYSA-N
XLogP1.78
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
CID 170865553
3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 141403331
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
2,3-dibutyl-4-methoxyaniline
CID 175061118
2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
3-amino-2-dodecyl-4-methoxybenzenesulfonamide
CID 174507939
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline?
The IUPAC name of 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline (CID 170865977) is 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline is COc1ccc(OC)c(CCCN(C)C)c1N.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline?
The InChIKey is POTHEWPFJHCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)9-5-6-10-11(16-3)7-8-12(17-4)13(10)14/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline?
2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline has a molecular weight of 238.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline is sourced from PubChem (CID 170865977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).