1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine

C14H21NO — CID 10777425

IUPAC1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
SMILESCc1cccc(C)c1OCC1(N)CCCC1
InChIInChI=1S/C14H21NO/c1-11-6-5-7-12(2)13(11)16-10-14(15)8-3-4-9-14/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyCCXLOXVEUCAFSD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds3

About 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine

1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine (PubChem CID 10777425) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
PubChem CID10777425
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
SMILESCc1cccc(C)c1OCC1(N)CCCC1
InChIInChI=1S/C14H21NO/c1-11-6-5-7-12(2)13(11)16-10-14(15)8-3-4-9-14/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyCCXLOXVEUCAFSD-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine (CID 10777425) is 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine is Cc1cccc(C)c1OCC1(N)CCCC1.
What is the InChIKey of 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine?
The InChIKey is CCXLOXVEUCAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-5-7-12(2)13(11)16-10-14(15)8-3-4-9-14/h5-7H,3-4,8-10,15H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine?
1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 10777425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).