N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine

C16H25NO2 — CID 103132818

IUPACN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-3-10-17-11-14-6-4-5-7-16(14)18-12-15-9-8-13(2)19-15/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyIUWKWSJJGUFGSJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

About N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 103132818) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID103132818
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-3-10-17-11-14-6-4-5-7-16(14)18-12-15-9-8-13(2)19-15/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyIUWKWSJJGUFGSJ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132827
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79166756
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 114196061

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 103132818) is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCC1CCC(C)O1.
What is the InChIKey of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is IUWKWSJJGUFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-17-11-14-6-4-5-7-16(14)18-12-15-9-8-13(2)19-15/h4-7,13,15,17H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 103132818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).