(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol

C19H25NO2 — CID 7374885

IUPAC(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
SMILESCc1ccc(OCCNC[C@@H](C)O)c(Cc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFCQDLKIFZHHNGS-MRXNPFEDSA-N
MW299.41 g/mol
LogP2.94
Rot. Bonds8

About (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol

(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol (PubChem CID 7374885) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
PubChem CID7374885
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
SMILESCc1ccc(OCCNC[C@@H](C)O)c(Cc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFCQDLKIFZHHNGS-MRXNPFEDSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol
CID 2231761
(2R)-1-[4-(2-benzyl-4-chlorophenoxy)butylamino]propan-2-ol
CID 2231726
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
3-(2-benzyl-4-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium
CID 7375818
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
CID 175325804
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol (CID 7374885) is (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol is Cc1ccc(OCCNC[C@@H](C)O)c(Cc2ccccc2)c1.
What is the InChIKey of (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol?
The InChIKey is FCQDLKIFZHHNGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol?
(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 7374885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).