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

C16H26N2O2 — CID 79166756

IUPACN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H26N2O2/c1-3-8-17-11-14-6-4-5-7-16(14)20-13-15-12-18(2)9-10-19-15/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyKNPSYIPKLYXTFS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds7

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

N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 79166756) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID79166756
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H26N2O2/c1-3-8-17-11-14-6-4-5-7-16(14)20-13-15-12-18(2)9-10-19-15/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyKNPSYIPKLYXTFS-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
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

N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 79171206
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
N-[[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]ethanamine
CID 79171680
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride
CID 139662067
N-ethyl-1-[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171207
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
4-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
CID 70907046
2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
CID 79171247
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 79166756) is N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCC1CN(C)CCO1.
What is the InChIKey of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is KNPSYIPKLYXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-17-11-14-6-4-5-7-16(14)20-13-15-12-18(2)9-10-19-15/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79166756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).