2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol

C14H24N2O2 — CID 61071266

IUPAC2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2/c1-12(2)16(7-9-18-10-8-17)11-13-3-5-14(15)6-4-13/h3-6,12,17H,7-11,15H2,1-2H3
InChIKeyDMJRKHDCQWLTAB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds8

About 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol

2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol (PubChem CID 61071266) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
PubChem CID61071266
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2/c1-12(2)16(7-9-18-10-8-17)11-13-3-5-14(15)6-4-13/h3-6,12,17H,7-11,15H2,1-2H3
InChIKeyDMJRKHDCQWLTAB-UHFFFAOYSA-N
XLogP1.49
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
CID 114274418
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]methyl]aniline
CID 61491169
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
4-[[(3-methoxy-3-methylbutyl)-propan-2-ylamino]methyl]aniline
CID 103034089
4-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725915
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]aniline
CID 60921385
2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
CID 82257190
4-[[2-tert-butylsulfonylethyl(propan-2-yl)amino]methyl]aniline
CID 106725914
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol (CID 61071266) is 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol is CC(C)N(CCOCCO)Cc1ccc(N)cc1.
What is the InChIKey of 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol?
The InChIKey is DMJRKHDCQWLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)16(7-9-18-10-8-17)11-13-3-5-14(15)6-4-13/h3-6,12,17H,7-11,15H2,1-2H3.
What are the key properties of 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol?
2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 61071266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).