2-[2-amino-5-(3-aminoanilino)phenyl]ethanol

C14H17N3O — CID 174673672

IUPAC2-[2-amino-5-(3-aminoanilino)phenyl]ethanol
SMILESNc1cccc(Nc2ccc(N)c(CCO)c2)c1
InChIInChI=1S/C14H17N3O/c15-11-2-1-3-12(9-11)17-13-4-5-14(16)10(8-13)6-7-18/h1-5,8-9,17-18H,6-7,15-16H2
InChIKeyKADZJFHMDWHEDO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol

2-[2-amino-5-(3-aminoanilino)phenyl]ethanol (PubChem CID 174673672) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-5-(3-aminoanilino)phenyl]ethanol
PubChem CID174673672
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[2-amino-5-(3-aminoanilino)phenyl]ethanol
SMILESNc1cccc(Nc2ccc(N)c(CCO)c2)c1
InChIInChI=1S/C14H17N3O/c15-11-2-1-3-12(9-11)17-13-4-5-14(16)10(8-13)6-7-18/h1-5,8-9,17-18H,6-7,15-16H2
InChIKeyKADZJFHMDWHEDO-UHFFFAOYSA-N
XLogP2.13
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-diaminophenyl)ethanol
CID 160672831
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
2-[[4-amino-3-(2-hydroxyethyl)anilino]methyl]benzene-1,4-diol;hydrochloride
CID 23437239
2-[2-amino-5-(3-fluorophenyl)phenyl]ethanol
CID 70108896
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
2-[[4-(3-aminoanilino)-6-[2-[4-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486433
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
2-[2-amino-5-(3-chloroanilino)phenyl]acetonitrile
CID 102623806

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol?
The IUPAC name of 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol (CID 174673672) is 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol is Nc1cccc(Nc2ccc(N)c(CCO)c2)c1.
What is the InChIKey of 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol?
The InChIKey is KADZJFHMDWHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-2-1-3-12(9-11)17-13-4-5-14(16)10(8-13)6-7-18/h1-5,8-9,17-18H,6-7,15-16H2.
What are the key properties of 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol?
2-[2-amino-5-(3-aminoanilino)phenyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-aminoanilino)phenyl]ethanol is sourced from PubChem (CID 174673672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).