3-[1-(2-methylpentylamino)ethyl]phenol

C14H23NO — CID 43748423

IUPAC3-[1-(2-methylpentylamino)ethyl]phenol
SMILESCCCC(C)CNC(C)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-4-6-11(2)10-15-12(3)13-7-5-8-14(16)9-13/h5,7-9,11-12,15-16H,4,6,10H2,1-3H3
InChIKeyUHZNPGAHHRHBOB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds6

About 3-[1-(2-methylpentylamino)ethyl]phenol

3-[1-(2-methylpentylamino)ethyl]phenol (PubChem CID 43748423) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[1-(2-methylpentylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-methylpentylamino)ethyl]phenol
PubChem CID43748423
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[1-(2-methylpentylamino)ethyl]phenol
SMILESCCCC(C)CNC(C)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-4-6-11(2)10-15-12(3)13-7-5-8-14(16)9-13/h5,7-9,11-12,15-16H,4,6,10H2,1-3H3
InChIKeyUHZNPGAHHRHBOB-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
3-[1-(2,2-dimethoxyethylamino)ethyl]phenol
CID 60816650
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
CID 81351129
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
CID 124596699
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpentylamino)ethyl]phenol?
The IUPAC name of 3-[1-(2-methylpentylamino)ethyl]phenol (CID 43748423) is 3-[1-(2-methylpentylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-methylpentylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-methylpentylamino)ethyl]phenol is CCCC(C)CNC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-methylpentylamino)ethyl]phenol?
The InChIKey is UHZNPGAHHRHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-11(2)10-15-12(3)13-7-5-8-14(16)9-13/h5,7-9,11-12,15-16H,4,6,10H2,1-3H3.
What are the key properties of 3-[1-(2-methylpentylamino)ethyl]phenol?
3-[1-(2-methylpentylamino)ethyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpentylamino)ethyl]phenol is sourced from PubChem (CID 43748423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).