2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine

C15H23NO — CID 79572200

IUPAC2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
SMILESCc1ccc(OCCC2CCCC2N)cc1C
InChIInChI=1S/C15H23NO/c1-11-6-7-14(10-12(11)2)17-9-8-13-4-3-5-15(13)16/h6-7,10,13,15H,3-5,8-9,16H2,1-2H3
InChIKeyDJPGXVNEXZTTBE-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.20
Rot. Bonds4

About 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine

2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine (PubChem CID 79572200) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
PubChem CID79572200
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
SMILESCc1ccc(OCCC2CCCC2N)cc1C
InChIInChI=1S/C15H23NO/c1-11-6-7-14(10-12(11)2)17-9-8-13-4-3-5-15(13)16/h6-7,10,13,15H,3-5,8-9,16H2,1-2H3
InChIKeyDJPGXVNEXZTTBE-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
CID 115492496
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
6-[2-(2-aminocyclopentyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 79573107
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
2-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclopentan-1-amine
CID 103289132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine (CID 79572200) is 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine is Cc1ccc(OCCC2CCCC2N)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is DJPGXVNEXZTTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-14(10-12(11)2)17-9-8-13-4-3-5-15(13)16/h6-7,10,13,15H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine?
2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79572200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).