3-[(4-methylpentylamino)methyl]phenol

C13H21NO — CID 60744251

IUPAC3-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-11(2)5-4-8-14-10-12-6-3-7-13(15)9-12/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3
InChIKeyIJTUHAVSCHVIRG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds6

About 3-[(4-methylpentylamino)methyl]phenol

3-[(4-methylpentylamino)methyl]phenol (PubChem CID 60744251) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(4-methylpentylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(4-methylpentylamino)methyl]phenol
PubChem CID60744251
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(4-methylpentylamino)methyl]phenol
SMILESCC(C)CCCNCc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-11(2)5-4-8-14-10-12-6-3-7-13(15)9-12/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3
InChIKeyIJTUHAVSCHVIRG-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
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

3-(propylaminomethyl)phenol
CID 10725714
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[(3-aminopentylamino)methyl]phenol
CID 163670713
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
3-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306226
3-[(2-cyclopropylpropylamino)methyl]phenol
CID 115592725

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpentylamino)methyl]phenol?
The IUPAC name of 3-[(4-methylpentylamino)methyl]phenol (CID 60744251) is 3-[(4-methylpentylamino)methyl]phenol.
What is the SMILES notation for 3-[(4-methylpentylamino)methyl]phenol?
The canonical SMILES for 3-[(4-methylpentylamino)methyl]phenol is CC(C)CCCNCc1cccc(O)c1.
What is the InChIKey of 3-[(4-methylpentylamino)methyl]phenol?
The InChIKey is IJTUHAVSCHVIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)5-4-8-14-10-12-6-3-7-13(15)9-12/h3,6-7,9,11,14-15H,4-5,8,10H2,1-2H3.
What are the key properties of 3-[(4-methylpentylamino)methyl]phenol?
3-[(4-methylpentylamino)methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpentylamino)methyl]phenol is sourced from PubChem (CID 60744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).