N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C14H21NO2 — CID 43208412

IUPACN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeySVXNXGRUXNABJY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208412) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208412
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeySVXNXGRUXNABJY-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 82893205
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N'-hydroxy-2-methoxy-5-[[1-(oxolan-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77065751

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43208412) is N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is COc1ccc(CNC(C)C2CCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is SVXNXGRUXNABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).