5-[3-(aminomethyl)phenoxy]pentan-1-ol

C12H19NO2 — CID 62228589

IUPAC5-[3-(aminomethyl)phenoxy]pentan-1-ol
SMILESNCc1cccc(OCCCCCO)c1
InChIInChI=1S/C12H19NO2/c13-10-11-5-4-6-12(9-11)15-8-3-1-2-7-14/h4-6,9,14H,1-3,7-8,10,13H2
InChIKeyPPGMQSXTXSYCPQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds7

About 5-[3-(aminomethyl)phenoxy]pentan-1-ol

5-[3-(aminomethyl)phenoxy]pentan-1-ol (PubChem CID 62228589) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenoxy]pentan-1-ol
PubChem CID62228589
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-[3-(aminomethyl)phenoxy]pentan-1-ol
SMILESNCc1cccc(OCCCCCO)c1
InChIInChI=1S/C12H19NO2/c13-10-11-5-4-6-12(9-11)15-8-3-1-2-7-14/h4-6,9,14H,1-3,7-8,10,13H2
InChIKeyPPGMQSXTXSYCPQ-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
2-[3-[5-[3-(aminomethyl)phenoxy]pentoxy]propoxy]acetic acid;hydrochloride
CID 168970123
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenoxy]pentan-1-ol?
The IUPAC name of 5-[3-(aminomethyl)phenoxy]pentan-1-ol (CID 62228589) is 5-[3-(aminomethyl)phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[3-(aminomethyl)phenoxy]pentan-1-ol?
The canonical SMILES for 5-[3-(aminomethyl)phenoxy]pentan-1-ol is NCc1cccc(OCCCCCO)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenoxy]pentan-1-ol?
The InChIKey is PPGMQSXTXSYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10-11-5-4-6-12(9-11)15-8-3-1-2-7-14/h4-6,9,14H,1-3,7-8,10,13H2.
What are the key properties of 5-[3-(aminomethyl)phenoxy]pentan-1-ol?
5-[3-(aminomethyl)phenoxy]pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenoxy]pentan-1-ol is sourced from PubChem (CID 62228589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).