N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine

C17H25NO2 — CID 54798939

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
SMILESc1cc(OCC2CCCO2)ccc1CNC1CCCC1
InChIInChI=1S/C17H25NO2/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)20-13-17-6-3-11-19-17/h7-10,15,17-18H,1-6,11-13H2
InChIKeyJQVPCTRHAZCSPZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.28
Rot. Bonds6

About N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine (PubChem CID 54798939) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
PubChem CID54798939
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
SMILESc1cc(OCC2CCCO2)ccc1CNC1CCCC1
InChIInChI=1S/C17H25NO2/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)20-13-17-6-3-11-19-17/h7-10,15,17-18H,1-6,11-13H2
InChIKeyJQVPCTRHAZCSPZ-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
2,4,5-trichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 46736222
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111469000
2-[4-(oxan-2-ylmethoxy)phenyl]acetonitrile
CID 43422058
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine (CID 54798939) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine is c1cc(OCC2CCCO2)ccc1CNC1CCCC1.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The InChIKey is JQVPCTRHAZCSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)20-13-17-6-3-11-19-17/h7-10,15,17-18H,1-6,11-13H2.
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine has a molecular weight of 275.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 54798939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).