2-[2-(4-ethylanilino)ethylamino]phenol

C16H20N2O — CID 151020597

IUPAC2-[2-(4-ethylanilino)ethylamino]phenol
SMILESCCc1ccc(NCCNc2ccccc2O)cc1
InChIInChI=1S/C16H20N2O/c1-2-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19/h3-10,17-19H,2,11-12H2,1H3
InChIKeyLXZHOXMERKPLMW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.48
Rot. Bonds6

About 2-[2-(4-ethylanilino)ethylamino]phenol

2-[2-(4-ethylanilino)ethylamino]phenol (PubChem CID 151020597) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(4-ethylanilino)ethylamino]phenol.

Molecular Properties

Compound Name2-[2-(4-ethylanilino)ethylamino]phenol
PubChem CID151020597
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[2-(4-ethylanilino)ethylamino]phenol
SMILESCCc1ccc(NCCNc2ccccc2O)cc1
InChIInChI=1S/C16H20N2O/c1-2-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19/h3-10,17-19H,2,11-12H2,1H3
InChIKeyLXZHOXMERKPLMW-UHFFFAOYSA-N
XLogP3.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
CID 127075804
4-ethyl-2-(propylamino)phenol
CID 141451403
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
2-(hexadecylamino)phenol
CID 154256819
3-(4-ethylanilino)-1-phenylpropan-1-one
CID 17383220
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
N,4-diethylaniline
CID 6429431
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
CID 4097731
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23762652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylanilino)ethylamino]phenol?
The IUPAC name of 2-[2-(4-ethylanilino)ethylamino]phenol (CID 151020597) is 2-[2-(4-ethylanilino)ethylamino]phenol.
What is the SMILES notation for 2-[2-(4-ethylanilino)ethylamino]phenol?
The canonical SMILES for 2-[2-(4-ethylanilino)ethylamino]phenol is CCc1ccc(NCCNc2ccccc2O)cc1.
What is the InChIKey of 2-[2-(4-ethylanilino)ethylamino]phenol?
The InChIKey is LXZHOXMERKPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19/h3-10,17-19H,2,11-12H2,1H3.
What are the key properties of 2-[2-(4-ethylanilino)ethylamino]phenol?
2-[2-(4-ethylanilino)ethylamino]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylanilino)ethylamino]phenol is sourced from PubChem (CID 151020597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).