[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol

C16H20N2O2 — CID 69166478

IUPAC[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol
SMILESNCCN(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c17-11-12-18(15(19)13-7-3-1-4-8-13)16(20)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12,17H2
InChIKeyLWWNJTUNUNFFIT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.63
Rot. Bonds6

About [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol

[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol (PubChem CID 69166478) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol.

Molecular Properties

Compound Name[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol
PubChem CID69166478
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol
SMILESNCCN(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c17-11-12-18(15(19)13-7-3-1-4-8-13)16(20)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12,17H2
InChIKeyLWWNJTUNUNFFIT-UHFFFAOYSA-N
XLogP1.63
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N',N'-dibenzhydrylpropane-1,3-diamine
CID 139912939
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
2-amino-1-phenylethanol;ethane
CID 91425169
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
4-amino-1-[4-[(4-amino-2-hydroxybutyl)-benzylamino]butyl-benzylamino]butan-2-ol
CID 85268457

Frequently Asked Questions

What is the IUPAC name of [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol?
The IUPAC name of [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol (CID 69166478) is [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol.
What is the SMILES notation for [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol?
The canonical SMILES for [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol is NCCN(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol?
The InChIKey is LWWNJTUNUNFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-12-18(15(19)13-7-3-1-4-8-13)16(20)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12,17H2.
What are the key properties of [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol?
[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol has a molecular weight of 272.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol is sourced from PubChem (CID 69166478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).