3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol

C17H22N2O — CID 65377405

IUPAC3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H22N2O/c18-13-17(19-11-4-12-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,17,19-20H,4,11-13,18H2
InChIKeyMOFZGHVQLSMYAW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.33
Rot. Bonds7

About 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol (PubChem CID 65377405) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
PubChem CID65377405
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H22N2O/c18-13-17(19-11-4-12-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,17,19-20H,4,11-13,18H2
InChIKeyMOFZGHVQLSMYAW-UHFFFAOYSA-N
XLogP2.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 116641279
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991
3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
CID 116952947
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol (CID 65377405) is 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is MOFZGHVQLSMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-13-17(19-11-4-12-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10,17,19-20H,4,11-13,18H2.
What are the key properties of 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65377405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).