2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol

C19H33NO — CID 106508544

IUPAC2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-14-19(15-20,16-21)18-12-10-17(2)11-13-18/h10-13,21H,3-9,14-16,20H2,1-2H3
InChIKeyJUWHWEYELRCQTM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds11

About 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol

2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol (PubChem CID 106508544) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
PubChem CID106508544
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-14-19(15-20,16-21)18-12-10-17(2)11-13-18/h10-13,21H,3-9,14-16,20H2,1-2H3
InChIKeyJUWHWEYELRCQTM-UHFFFAOYSA-N
XLogP4.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
2-butyl-2-(4-methylphenyl)propane-1,3-diol
CID 79449599
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 106508573
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
1-[1-bromo-2-(bromomethyl)heptan-2-yl]-4-methylbenzene
CID 79455568
1-[1-chloro-2-(chloromethyl)heptan-2-yl]-4-methylbenzene
CID 79447900
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
2-(4-methylphenyl)octan-2-ol
CID 65144778
2-ethyl-2-phenylnonan-1-ol
CID 66057887

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol (CID 106508544) is 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol is CCCCCCCCCC(CN)(CO)c1ccc(C)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol?
The InChIKey is JUWHWEYELRCQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-14-19(15-20,16-21)18-12-10-17(2)11-13-18/h10-13,21H,3-9,14-16,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol?
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol is sourced from PubChem (CID 106508544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).