4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol

C12H19NO2 — CID 107655616

IUPAC4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
SMILESCc1ccc(CN)cc1OCCCCO
InChIInChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-2-6-14/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeyCXQHCMJFQIDRLZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds6

About 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol

4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol (PubChem CID 107655616) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
PubChem CID107655616
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
SMILESCc1ccc(CN)cc1OCCCCO
InChIInChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-2-6-14/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeyCXQHCMJFQIDRLZ-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
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

[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
CID 107655871
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
4-[5-(aminomethyl)-2-nitrophenoxy]butan-1-ol
CID 62116714
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol?
The IUPAC name of 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol (CID 107655616) is 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol.
What is the SMILES notation for 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol?
The canonical SMILES for 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol is Cc1ccc(CN)cc1OCCCCO.
What is the InChIKey of 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol?
The InChIKey is CXQHCMJFQIDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-2-6-14/h4-5,8,14H,2-3,6-7,9,13H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol?
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol is sourced from PubChem (CID 107655616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).