1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol

C19H26N2O2 — CID 20520919

IUPAC1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol
SMILESCc1cccc(C)c1NCCCC(O)C(N)Oc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-8-6-9-15(2)18(14)21-13-7-12-17(22)19(20)23-16-10-4-3-5-11-16/h3-6,8-11,17,19,21-22H,7,12-13,20H2,1-2H3
InChIKeyVURSLEGHYPGDCG-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.22
Rot. Bonds8

About 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol

1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol (PubChem CID 20520919) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol
PubChem CID20520919
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol
SMILESCc1cccc(C)c1NCCCC(O)C(N)Oc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-8-6-9-15(2)18(14)21-13-7-12-17(22)19(20)23-16-10-4-3-5-11-16/h3-6,8-11,17,19,21-22H,7,12-13,20H2,1-2H3
InChIKeyVURSLEGHYPGDCG-UHFFFAOYSA-N
XLogP3.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.22
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-anilino-1-phenoxypentan-2-ol
CID 20520933
2,6-dimethyl-N-(4-methylpentyl)aniline
CID 83156860
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
(2S)-1-amino-7,7-bis(4-methoxyphenyl)-1-phenoxyheptan-2-ol;hydrochloride
CID 159124710
1-amino-4-methyl-1-phenoxypentan-2-ol
CID 20505639
4-[(5S)-6-amino-1-(4-carboxyphenyl)-5-hydroxy-6-phenoxyhexyl]benzoic acid
CID 154450532
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
[(2S)-5-(2,6-dimethylanilino)-1-hydroxypentan-2-yl]-[(2-methylpropan-2-yl)oxy]carbamic acid
CID 141067649
2,6-dimethyl-N-octylaniline;2-hydroxybutanedioic acid
CID 70621900
1-phenoxyethanol
CID 66611531
N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807002
2-(3-ethoxypropylamino)-3-methylbenzoic acid
CID 107111865

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol?
The IUPAC name of 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol (CID 20520919) is 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol.
What is the SMILES notation for 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol?
The canonical SMILES for 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol is Cc1cccc(C)c1NCCCC(O)C(N)Oc1ccccc1.
What is the InChIKey of 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol?
The InChIKey is VURSLEGHYPGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-8-6-9-15(2)18(14)21-13-7-12-17(22)19(20)23-16-10-4-3-5-11-16/h3-6,8-11,17,19,21-22H,7,12-13,20H2,1-2H3.
What are the key properties of 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol?
1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol is sourced from PubChem (CID 20520919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).