2-methyl-5-[3-(methylamino)propyl]phenol

C11H17NO — CID 83696087

IUPAC2-methyl-5-[3-(methylamino)propyl]phenol
SMILESCNCCCc1ccc(C)c(O)c1
InChIInChI=1S/C11H17NO/c1-9-5-6-10(8-11(9)13)4-3-7-12-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyJWUXMRLLXVTLQG-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-5-[3-(methylamino)propyl]phenol

2-methyl-5-[3-(methylamino)propyl]phenol (PubChem CID 83696087) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-5-[3-(methylamino)propyl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(methylamino)propyl]phenol
PubChem CID83696087
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-5-[3-(methylamino)propyl]phenol
SMILESCNCCCc1ccc(C)c(O)c1
InChIInChI=1S/C11H17NO/c1-9-5-6-10(8-11(9)13)4-3-7-12-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyJWUXMRLLXVTLQG-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 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 ≤ 51.85
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

4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
CID 175900742
CID 175900742
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
2-methyl-5-nonylphenol;3-nonylphenol
CID 19003711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(methylamino)propyl]phenol?
The IUPAC name of 2-methyl-5-[3-(methylamino)propyl]phenol (CID 83696087) is 2-methyl-5-[3-(methylamino)propyl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(methylamino)propyl]phenol?
The canonical SMILES for 2-methyl-5-[3-(methylamino)propyl]phenol is CNCCCc1ccc(C)c(O)c1.
What is the InChIKey of 2-methyl-5-[3-(methylamino)propyl]phenol?
The InChIKey is JWUXMRLLXVTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-6-10(8-11(9)13)4-3-7-12-2/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(methylamino)propyl]phenol?
2-methyl-5-[3-(methylamino)propyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(methylamino)propyl]phenol is sourced from PubChem (CID 83696087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).