N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine

C17H28N2O — CID 62134182

IUPACN-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCOCC2CC)cc1C
InChIInChI=1S/C17H28N2O/c1-4-8-18-12-15-6-7-17(11-14(15)3)19-9-10-20-13-16(19)5-2/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyLFNOJWDBQZEUJG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.11
Rot. Bonds6

About N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine

N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine (PubChem CID 62134182) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine
PubChem CID62134182
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCOCC2CC)cc1C
InChIInChI=1S/C17H28N2O/c1-4-8-18-12-15-6-7-17(11-14(15)3)19-9-10-20-13-16(19)5-2/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyLFNOJWDBQZEUJG-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
CID 63785824
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
N-[[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 62135677
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
3-ethyl-4-phenylmorpholine
CID 154695616
N-[[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62930040
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 63633408
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
4-[4-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080615
1-[4-[3-methyl-4-(propylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 62135343
2-ethoxy-4-(3-ethylmorpholin-4-yl)aniline
CID 55234148
2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
CID 79600243

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine (CID 62134182) is N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCOCC2CC)cc1C.
What is the InChIKey of N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine?
The InChIKey is LFNOJWDBQZEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-8-18-12-15-6-7-17(11-14(15)3)19-9-10-20-13-16(19)5-2/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine?
N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 62134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).