2-(aminomethyl)-6-butylphenol

C11H17NO — CID 142528852

IUPAC2-(aminomethyl)-6-butylphenol
SMILESCCCCc1cccc(CN)c1O
InChIInChI=1S/C11H17NO/c1-2-3-5-9-6-4-7-10(8-12)11(9)13/h4,6-7,13H,2-3,5,8,12H2,1H3
InChIKeyJYSRFBAZKCTMCR-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.19
Rot. Bonds4

About 2-(aminomethyl)-6-butylphenol

2-(aminomethyl)-6-butylphenol (PubChem CID 142528852) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(aminomethyl)-6-butylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-6-butylphenol
PubChem CID142528852
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(aminomethyl)-6-butylphenol
SMILESCCCCc1cccc(CN)c1O
InChIInChI=1S/C11H17NO/c1-2-3-5-9-6-4-7-10(8-12)11(9)13/h4,6-7,13H,2-3,5,8,12H2,1H3
InChIKeyJYSRFBAZKCTMCR-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-methyl-6-undecylphenol
CID 174998801
propyl 3-(3-butyl-2-hydroxyphenyl)propanoate
CID 22644112
2-butyl-6-methylphenol;2-methylaniline
CID 70417016
(2-butyl-6-methylphenyl)methanamine
CID 163670855
3-butyl-2-hydroxybenzoic acid
CID 18681512
2-butyl-6-octylaniline
CID 154074002
(2-heptylphenyl)methanamine
CID 57355618

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-butylphenol?
The IUPAC name of 2-(aminomethyl)-6-butylphenol (CID 142528852) is 2-(aminomethyl)-6-butylphenol.
What is the SMILES notation for 2-(aminomethyl)-6-butylphenol?
The canonical SMILES for 2-(aminomethyl)-6-butylphenol is CCCCc1cccc(CN)c1O.
What is the InChIKey of 2-(aminomethyl)-6-butylphenol?
The InChIKey is JYSRFBAZKCTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-5-9-6-4-7-10(8-12)11(9)13/h4,6-7,13H,2-3,5,8,12H2,1H3.
What are the key properties of 2-(aminomethyl)-6-butylphenol?
2-(aminomethyl)-6-butylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-butylphenol is sourced from PubChem (CID 142528852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).