2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol

C16H19ClN2O — CID 18521685

IUPAC2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
SMILESNc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-3-1-2-13(10-14)16(20)11-19-9-8-12-4-6-15(18)7-5-12/h1-7,10,16,19-20H,8-9,11,18H2
InChIKeyWDWIHURZYAZSBL-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.79
Rot. Bonds6

About 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol

2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol (PubChem CID 18521685) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
PubChem CID18521685
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
SMILESNc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-3-1-2-13(10-14)16(20)11-19-9-8-12-4-6-15(18)7-5-12/h1-7,10,16,19-20H,8-9,11,18H2
InChIKeyWDWIHURZYAZSBL-UHFFFAOYSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]benzoic acid
CID 24824228
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-fluorobenzoic acid
CID 24823130
ethyl 2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]methyl]benzoate
CID 14368687
2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]benzoyl]phenoxy]acetic acid
CID 24824227
2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441
5-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonyl-2-(methylamino)benzoic acid
CID 10458239
2-[4-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfanylphenoxy]acetic acid;hydrochloride
CID 69057588
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 69102599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol (CID 18521685) is 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol is Nc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
The InChIKey is WDWIHURZYAZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-3-1-2-13(10-14)16(20)11-19-9-8-12-4-6-15(18)7-5-12/h1-7,10,16,19-20H,8-9,11,18H2.
What are the key properties of 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol?
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol has a molecular weight of 290.79 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 18521685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).