2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol

C18H31NO3 — CID 118501595

IUPAC2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(C)c(OCCCCCCN(CCO)CCO)c1
InChIInChI=1S/C18H31NO3/c1-16-7-8-17(2)18(15-16)22-14-6-4-3-5-9-19(10-12-20)11-13-21/h7-8,15,20-21H,3-6,9-14H2,1-2H3
InChIKeyCDDLRPRUAMIVRN-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.53
Rot. Bonds12

About 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol

2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 118501595) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
PubChem CID118501595
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(C)c(OCCCCCCN(CCO)CCO)c1
InChIInChI=1S/C18H31NO3/c1-16-7-8-17(2)18(15-16)22-14-6-4-3-5-9-19(10-12-20)11-13-21/h7-8,15,20-21H,3-6,9-14H2,1-2H3
InChIKeyCDDLRPRUAMIVRN-UHFFFAOYSA-N
XLogP2.53
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1,4-dimethyl-2-pentoxybenzene
CID 59184214
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
CID 2262147
2-[3-(2,5-dimethylphenoxy)propyl-(2-methylpropyl)amino]acetic acid
CID 63066276
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-hex-5-ynoxy-1,4-dimethylbenzene
CID 82363036
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol (CID 118501595) is 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol is Cc1ccc(C)c(OCCCCCCN(CCO)CCO)c1.
What is the InChIKey of 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CDDLRPRUAMIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-16-7-8-17(2)18(15-16)22-14-6-4-3-5-9-19(10-12-20)11-13-21/h7-8,15,20-21H,3-6,9-14H2,1-2H3.
What are the key properties of 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol?
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 309.45 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 118501595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).