[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine

C18H21NO2 — CID 43174548

IUPAC[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H21NO2/c19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-13-18-2-1-11-20-18/h3-10,18H,1-2,11-13,19H2
InChIKeyIVJKXXLJLHDKKY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.37
Rot. Bonds5

About [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine

[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine (PubChem CID 43174548) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
PubChem CID43174548
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H21NO2/c19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-13-18-2-1-11-20-18/h3-10,18H,1-2,11-13,19H2
InChIKeyIVJKXXLJLHDKKY-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
4-[4-(oxetan-2-ylmethoxy)phenyl]phenol
CID 22482668
2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
CID 54846765
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2-[4-(oxan-2-ylmethoxy)phenyl]acetonitrile
CID 43422058
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667

Frequently Asked Questions

What is the IUPAC name of [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine (CID 43174548) is [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine is NCc1ccc(-c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine?
The InChIKey is IVJKXXLJLHDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-12-14-3-5-15(6-4-14)16-7-9-17(10-8-16)21-13-18-2-1-11-20-18/h3-10,18H,1-2,11-13,19H2.
What are the key properties of [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine?
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 43174548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).