N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine

C17H28N2O2 — CID 79165728

IUPACN-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CN(CC)CCO2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-9-18-12-15-5-7-16(8-6-15)21-14-17-13-19(4-2)10-11-20-17/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyGKEOQILUDOVHHF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.29
Rot. Bonds8

About N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 79165728) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID79165728
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CN(CC)CCO2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-9-18-12-15-5-7-16(8-6-15)21-14-17-13-19(4-2)10-11-20-17/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyGKEOQILUDOVHHF-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]morpholine
CID 44581056
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
N-benzyl-3-[(4-ethylmorpholin-2-yl)methoxy]propan-1-amine
CID 114783008
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
N-[[5-[(4-ethylmorpholin-2-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79782914
(2R)-2-[(4-bromophenoxy)methyl]-4-propylmorpholine
CID 99979881
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79669924
N-[[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 116520720

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 79165728) is N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCC2CN(CC)CCO2)cc1.
What is the InChIKey of N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is GKEOQILUDOVHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-9-18-12-15-5-7-16(8-6-15)21-14-17-13-19(4-2)10-11-20-17/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79165728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).