5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine

C15H25NO4 — CID 82353691

IUPAC5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
SMILESCOc1cc(COCCCCCN)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-17-13-9-12(10-14(18-2)15(13)19-3)11-20-8-6-4-5-7-16/h9-10H,4-8,11,16H2,1-3H3
InChIKeyCVRBYWKQDIKJSY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.36
Rot. Bonds10

About 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine

5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine (PubChem CID 82353691) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
PubChem CID82353691
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
SMILESCOc1cc(COCCCCCN)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-17-13-9-12(10-14(18-2)15(13)19-3)11-20-8-6-4-5-7-16/h9-10H,4-8,11,16H2,1-3H3
InChIKeyCVRBYWKQDIKJSY-UHFFFAOYSA-N
XLogP2.36
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
CID 82353500
1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
CID 15638734
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butan-1-amine
CID 117391930
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine?
The IUPAC name of 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine (CID 82353691) is 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine.
What is the SMILES notation for 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine?
The canonical SMILES for 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine is COc1cc(COCCCCCN)cc(OC)c1OC.
What is the InChIKey of 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine?
The InChIKey is CVRBYWKQDIKJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-17-13-9-12(10-14(18-2)15(13)19-3)11-20-8-6-4-5-7-16/h9-10H,4-8,11,16H2,1-3H3.
What are the key properties of 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine?
5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 82353691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).