3-(2,6-dimethoxyphenyl)pentan-3-amine

C13H21NO2 — CID 116809908

IUPAC3-(2,6-dimethoxyphenyl)pentan-3-amine
SMILESCCC(N)(CC)c1c(OC)cccc1OC
InChIInChI=1S/C13H21NO2/c1-5-13(14,6-2)12-10(15-3)8-7-9-11(12)16-4/h7-9H,5-6,14H2,1-4H3
InChIKeyBDULULLOCYKHNJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.68
Rot. Bonds5

About 3-(2,6-dimethoxyphenyl)pentan-3-amine

3-(2,6-dimethoxyphenyl)pentan-3-amine (PubChem CID 116809908) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)pentan-3-amine
PubChem CID116809908
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(2,6-dimethoxyphenyl)pentan-3-amine
SMILESCCC(N)(CC)c1c(OC)cccc1OC
InChIInChI=1S/C13H21NO2/c1-5-13(14,6-2)12-10(15-3)8-7-9-11(12)16-4/h7-9H,5-6,14H2,1-4H3
InChIKeyBDULULLOCYKHNJ-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
4-(3-aminopentan-3-yl)-3-methoxythioxanthen-9-one
CID 21127782
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 116809899
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566
8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 23622394

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)pentan-3-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)pentan-3-amine (CID 116809908) is 3-(2,6-dimethoxyphenyl)pentan-3-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)pentan-3-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)pentan-3-amine is CCC(N)(CC)c1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)pentan-3-amine?
The InChIKey is BDULULLOCYKHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-13(14,6-2)12-10(15-3)8-7-9-11(12)16-4/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)pentan-3-amine?
3-(2,6-dimethoxyphenyl)pentan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)pentan-3-amine is sourced from PubChem (CID 116809908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).