1-amino-5-anilino-1-phenoxypentan-2-ol

C17H22N2O2 — CID 20520933

IUPAC1-amino-5-anilino-1-phenoxypentan-2-ol
SMILESNC(Oc1ccccc1)C(O)CCCNc1ccccc1
InChIInChI=1S/C17H22N2O2/c18-17(21-15-10-5-2-6-11-15)16(20)12-7-13-19-14-8-3-1-4-9-14/h1-6,8-11,16-17,19-20H,7,12-13,18H2
InChIKeyXZYLRQLQSMVVMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.60
Rot. Bonds8

About 1-amino-5-anilino-1-phenoxypentan-2-ol

1-amino-5-anilino-1-phenoxypentan-2-ol (PubChem CID 20520933) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-amino-5-anilino-1-phenoxypentan-2-ol.

Molecular Properties

Compound Name1-amino-5-anilino-1-phenoxypentan-2-ol
PubChem CID20520933
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-amino-5-anilino-1-phenoxypentan-2-ol
SMILESNC(Oc1ccccc1)C(O)CCCNc1ccccc1
InChIInChI=1S/C17H22N2O2/c18-17(21-15-10-5-2-6-11-15)16(20)12-7-13-19-14-8-3-1-4-9-14/h1-6,8-11,16-17,19-20H,7,12-13,18H2
InChIKeyXZYLRQLQSMVVMI-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol
CID 20520919
(2S)-1-amino-7,7-bis(4-methoxyphenyl)-1-phenoxyheptan-2-ol;hydrochloride
CID 159124710
4-[(5S)-6-amino-1-(4-carboxyphenyl)-5-hydroxy-6-phenoxyhexyl]benzoic acid
CID 154450532
1-amino-4-methyl-1-phenoxypentan-2-ol
CID 20505639
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(4-butyloctyl)aniline
CID 175196464
1-amino-2-anilinoethanol
CID 54286676
4-(3-phenoxypropylamino)benzamide
CID 60678988
4-anilinobutanamide
CID 67066705
1-anilinoheptacosan-13-ol
CID 151401190
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-anilino-1-phenoxypentan-2-ol?
The IUPAC name of 1-amino-5-anilino-1-phenoxypentan-2-ol (CID 20520933) is 1-amino-5-anilino-1-phenoxypentan-2-ol.
What is the SMILES notation for 1-amino-5-anilino-1-phenoxypentan-2-ol?
The canonical SMILES for 1-amino-5-anilino-1-phenoxypentan-2-ol is NC(Oc1ccccc1)C(O)CCCNc1ccccc1.
What is the InChIKey of 1-amino-5-anilino-1-phenoxypentan-2-ol?
The InChIKey is XZYLRQLQSMVVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-17(21-15-10-5-2-6-11-15)16(20)12-7-13-19-14-8-3-1-4-9-14/h1-6,8-11,16-17,19-20H,7,12-13,18H2.
What are the key properties of 1-amino-5-anilino-1-phenoxypentan-2-ol?
1-amino-5-anilino-1-phenoxypentan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-anilino-1-phenoxypentan-2-ol is sourced from PubChem (CID 20520933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).