3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol

C16H28N2O — CID 43751770

IUPAC3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
SMILESCC(C)CC(CN(C)C)NC(C)c1cccc(O)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-15(11-18(4)5)17-13(3)14-7-6-8-16(19)10-14/h6-8,10,12-13,15,17,19H,9,11H2,1-5H3
InChIKeyPGWPPSUWBYXZNY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.02
Rot. Bonds7

About 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol

3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol (PubChem CID 43751770) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
PubChem CID43751770
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
SMILESCC(C)CC(CN(C)C)NC(C)c1cccc(O)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-15(11-18(4)5)17-13(3)14-7-6-8-16(19)10-14/h6-8,10,12-13,15,17,19H,9,11H2,1-5H3
InChIKeyPGWPPSUWBYXZNY-UHFFFAOYSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine
CID 62090518
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
2-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43792404
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
CID 115494195
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol (CID 43751770) is 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol is CC(C)CC(CN(C)C)NC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol?
The InChIKey is PGWPPSUWBYXZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)9-15(11-18(4)5)17-13(3)14-7-6-8-16(19)10-14/h6-8,10,12-13,15,17,19H,9,11H2,1-5H3.
What are the key properties of 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol?
3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 43751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).