3-[(2-methylpentan-3-ylamino)methyl]phenol

C13H21NO — CID 61468670

IUPAC3-[(2-methylpentan-3-ylamino)methyl]phenol
SMILESCCC(NCc1cccc(O)c1)C(C)C
InChIInChI=1S/C13H21NO/c1-4-13(10(2)3)14-9-11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyPHNKHRDRTNWDLV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds5

About 3-[(2-methylpentan-3-ylamino)methyl]phenol

3-[(2-methylpentan-3-ylamino)methyl]phenol (PubChem CID 61468670) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2-methylpentan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-methylpentan-3-ylamino)methyl]phenol
PubChem CID61468670
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2-methylpentan-3-ylamino)methyl]phenol
SMILESCCC(NCc1cccc(O)c1)C(C)C
InChIInChI=1S/C13H21NO/c1-4-13(10(2)3)14-9-11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyPHNKHRDRTNWDLV-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-[(butan-2-ylamino)methyl]phenol
CID 43177331
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
N'-hydroxy-3-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77032298
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpentan-3-ylamino)methyl]phenol?
The IUPAC name of 3-[(2-methylpentan-3-ylamino)methyl]phenol (CID 61468670) is 3-[(2-methylpentan-3-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(2-methylpentan-3-ylamino)methyl]phenol?
The canonical SMILES for 3-[(2-methylpentan-3-ylamino)methyl]phenol is CCC(NCc1cccc(O)c1)C(C)C.
What is the InChIKey of 3-[(2-methylpentan-3-ylamino)methyl]phenol?
The InChIKey is PHNKHRDRTNWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(10(2)3)14-9-11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3.
What are the key properties of 3-[(2-methylpentan-3-ylamino)methyl]phenol?
3-[(2-methylpentan-3-ylamino)methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpentan-3-ylamino)methyl]phenol is sourced from PubChem (CID 61468670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).