4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol

C16H28N2O2 — CID 102999085

IUPAC4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
SMILESCCN(CCCN(C)C)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-18(11-7-10-17(3)4)13(2)14-8-9-15(19)16(12-14)20-5/h8-9,12-13,19H,6-7,10-11H2,1-5H3
InChIKeyFDNHRYWCYWRSNT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.74
Rot. Bonds8

About 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol

4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol (PubChem CID 102999085) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
PubChem CID102999085
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
SMILESCCN(CCCN(C)C)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-18(11-7-10-17(3)4)13(2)14-8-9-15(19)16(12-14)20-5/h8-9,12-13,19H,6-7,10-11H2,1-5H3
InChIKeyFDNHRYWCYWRSNT-UHFFFAOYSA-N
XLogP2.74
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82957710
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol (CID 102999085) is 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol is CCN(CCCN(C)C)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol?
The InChIKey is FDNHRYWCYWRSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-18(11-7-10-17(3)4)13(2)14-8-9-15(19)16(12-14)20-5/h8-9,12-13,19H,6-7,10-11H2,1-5H3.
What are the key properties of 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol?
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 102999085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).