1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine

C21H27NO — CID 126676155

IUPAC1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccc(COC3CCCC3)cc2)cc1
InChIInChI=1S/C21H27NO/c1-22(2)15-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-23-21-5-3-4-6-21/h7-14,21H,3-6,15-16H2,1-2H3
InChIKeyMVGBPZJGSVRHRK-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.87
Rot. Bonds6

About 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine

1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 126676155) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine
PubChem CID126676155
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccc(COC3CCCC3)cc2)cc1
InChIInChI=1S/C21H27NO/c1-22(2)15-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-23-21-5-3-4-6-21/h7-14,21H,3-6,15-16H2,1-2H3
InChIKeyMVGBPZJGSVRHRK-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine (CID 126676155) is 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2ccc(COC3CCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is MVGBPZJGSVRHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22(2)15-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-23-21-5-3-4-6-21/h7-14,21H,3-6,15-16H2,1-2H3.
What are the key properties of 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 309.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 126676155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).