N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine

C17H28N2O — CID 62135020

IUPACN-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCC1CN(c2ccc(CNC(C)C)c(C)c2)CCO1
InChIInChI=1S/C17H28N2O/c1-5-17-12-19(8-9-20-17)16-7-6-15(14(4)10-16)11-18-13(2)3/h6-7,10,13,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyDVPPBCNDWAIHCN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.11
Rot. Bonds5

About N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine

N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine (PubChem CID 62135020) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
PubChem CID62135020
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCC1CN(c2ccc(CNC(C)C)c(C)c2)CCO1
InChIInChI=1S/C17H28N2O/c1-5-17-12-19(8-9-20-17)16-7-6-15(14(4)10-16)11-18-13(2)3/h6-7,10,13,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyDVPPBCNDWAIHCN-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine (CID 62135020) is N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine is CCC1CN(c2ccc(CNC(C)C)c(C)c2)CCO1.
What is the InChIKey of N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine?
The InChIKey is DVPPBCNDWAIHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17-12-19(8-9-20-17)16-7-6-15(14(4)10-16)11-18-13(2)3/h6-7,10,13,17-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine?
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 62135020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).