2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine

C16H25NO — CID 43100661

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
SMILESCCC(C)(C)c1ccc(OC2CCCC2N)cc1
InChIInChI=1S/C16H25NO/c1-4-16(2,3)12-8-10-13(11-9-12)18-15-7-5-6-14(15)17/h8-11,14-15H,4-7,17H2,1-3H3
InChIKeyNFYVJLLIFBJVIQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine

2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine (PubChem CID 43100661) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
PubChem CID43100661
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
SMILESCCC(C)(C)c1ccc(OC2CCCC2N)cc1
InChIInChI=1S/C16H25NO/c1-4-16(2,3)12-8-10-13(11-9-12)18-15-7-5-6-14(15)17/h8-11,14-15H,4-7,17H2,1-3H3
InChIKeyNFYVJLLIFBJVIQ-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
CID 104675516
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
CID 66357108
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
CID 43104678
1-(cyclohexyloxymethoxy)-4-(2-methylbutan-2-yl)benzene
CID 89114083
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
CID 155520534
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine (CID 43100661) is 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine is CCC(C)(C)c1ccc(OC2CCCC2N)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine?
The InChIKey is NFYVJLLIFBJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(2,3)12-8-10-13(11-9-12)18-15-7-5-6-14(15)17/h8-11,14-15H,4-7,17H2,1-3H3.
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine?
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine is sourced from PubChem (CID 43100661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).