(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol

C17H24N2O — CID 144690321

IUPAC(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol
SMILESC/C=C\C=C/C=C/[C@@H](O)CNCCc1ccc(N)cc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-6-7-17(20)14-19-13-12-15-8-10-16(18)11-9-15/h2-11,17,19-20H,12-14,18H2,1H3/b3-2-,5-4-,7-6+/t17-/m1/s1
InChIKeyGKLSQXZJDHXIGW-PZNTUQMGSA-N
MW272.39 g/mol
LogP2.45
Rot. Bonds8

About (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol

(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol (PubChem CID 144690321) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol
PubChem CID144690321
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol
SMILESC/C=C\C=C/C=C/[C@@H](O)CNCCc1ccc(N)cc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-6-7-17(20)14-19-13-12-15-8-10-16(18)11-9-15/h2-11,17,19-20H,12-14,18H2,1H3/b3-2-,5-4-,7-6+/t17-/m1/s1
InChIKeyGKLSQXZJDHXIGW-PZNTUQMGSA-N
XLogP2.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol with MolForge

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Related Compounds

2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
4-[(Z)-2-methylpent-3-enyl]aniline
CID 83928464
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
3-[2-(4-ethylphenyl)ethylamino]propane-1,2-diol
CID 115122267
4-[2-(octylamino)ethyl]aniline
CID 113337418
(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine
CID 144833951
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
4-[2-(methoxyamino)ethyl]aniline
CID 143701980
[2-(4-aminophenyl)ethylamino]-phenylmethanol
CID 132520187
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
CID 115198696

Frequently Asked Questions

What is the IUPAC name of (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol?
The IUPAC name of (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol (CID 144690321) is (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol.
What is the SMILES notation for (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol?
The canonical SMILES for (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol is C/C=C\C=C/C=C/[C@@H](O)CNCCc1ccc(N)cc1.
What is the InChIKey of (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol?
The InChIKey is GKLSQXZJDHXIGW-PZNTUQMGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-6-7-17(20)14-19-13-12-15-8-10-16(18)11-9-15/h2-11,17,19-20H,12-14,18H2,1H3/b3-2-,5-4-,7-6+/t17-/m1/s1.
What are the key properties of (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol?
(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol has a molecular weight of 272.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol is sourced from PubChem (CID 144690321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).