3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol

C17H22N2O2 — CID 65378448

IUPAC3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H22N2O2/c18-13-17(19-10-5-11-20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,19-20H,5,10-11,13,18H2
InChIKeyBBIBSWLHFUTQOI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds8

About 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol (PubChem CID 65378448) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
PubChem CID65378448
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H22N2O2/c18-13-17(19-10-5-11-20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,19-20H,5,10-11,13,18H2
InChIKeyBBIBSWLHFUTQOI-UHFFFAOYSA-N
XLogP2.45
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
2-(3-hydroxypropylamino)-2-(3-phenoxyphenyl)acetonitrile
CID 62585886
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
2-[[2-amino-1-[3-(difluoromethyl)phenyl]ethyl]amino]ethanol
CID 115526912
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol (CID 65378448) is 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol?
The InChIKey is BBIBSWLHFUTQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-13-17(19-10-5-11-20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,19-20H,5,10-11,13,18H2.
What are the key properties of 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65378448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).