5-(3,5-dimethoxyphenoxy)pentan-2-amine

C13H21NO3 — CID 55137875

IUPAC5-(3,5-dimethoxyphenoxy)pentan-2-amine
SMILESCOc1cc(OC)cc(OCCCC(C)N)c1
InChIInChI=1S/C13H21NO3/c1-10(14)5-4-6-17-13-8-11(15-2)7-12(9-13)16-3/h7-10H,4-6,14H2,1-3H3
InChIKeyBTRRWTSFKBLWBF-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.21
Rot. Bonds7

About 5-(3,5-dimethoxyphenoxy)pentan-2-amine

5-(3,5-dimethoxyphenoxy)pentan-2-amine (PubChem CID 55137875) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenoxy)pentan-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenoxy)pentan-2-amine
PubChem CID55137875
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-(3,5-dimethoxyphenoxy)pentan-2-amine
SMILESCOc1cc(OC)cc(OCCCC(C)N)c1
InChIInChI=1S/C13H21NO3/c1-10(14)5-4-6-17-13-8-11(15-2)7-12(9-13)16-3/h7-10H,4-6,14H2,1-3H3
InChIKeyBTRRWTSFKBLWBF-UHFFFAOYSA-N
XLogP2.21
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
1-(3-chloro-5-methoxyphenoxy)propan-2-amine
CID 141019725
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
CID 64812927
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
CID 119344793
5-(3,5-dimethoxyphenoxy)pentanenitrile
CID 55025373
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenoxy)pentan-2-amine?
The IUPAC name of 5-(3,5-dimethoxyphenoxy)pentan-2-amine (CID 55137875) is 5-(3,5-dimethoxyphenoxy)pentan-2-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenoxy)pentan-2-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenoxy)pentan-2-amine is COc1cc(OC)cc(OCCCC(C)N)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenoxy)pentan-2-amine?
The InChIKey is BTRRWTSFKBLWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(14)5-4-6-17-13-8-11(15-2)7-12(9-13)16-3/h7-10H,4-6,14H2,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenoxy)pentan-2-amine?
5-(3,5-dimethoxyphenoxy)pentan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenoxy)pentan-2-amine is sourced from PubChem (CID 55137875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).