2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol

C17H27NO — CID 117408731

IUPAC2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1O
InChIInChI=1S/C17H27NO/c1-11(2)13-7-8-14(12(3)4)16(19)15(13)17(18)9-5-6-10-17/h7-8,11-12,19H,5-6,9-10,18H2,1-4H3
InChIKeyVPIJABVCXSWYLL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.37
Rot. Bonds3

About 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol

2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol (PubChem CID 117408731) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
PubChem CID117408731
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1O
InChIInChI=1S/C17H27NO/c1-11(2)13-7-8-14(12(3)4)16(19)15(13)17(18)9-5-6-10-17/h7-8,11-12,19H,5-6,9-10,18H2,1-4H3
InChIKeyVPIJABVCXSWYLL-UHFFFAOYSA-N
XLogP4.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
CID 117497312
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
2-(1-aminocyclobutyl)-4-chloro-3-methyl-6-propan-2-ylphenol
CID 117387590
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117442710
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol?
The IUPAC name of 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol (CID 117408731) is 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol is CC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1O.
What is the InChIKey of 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol?
The InChIKey is VPIJABVCXSWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)13-7-8-14(12(3)4)16(19)15(13)17(18)9-5-6-10-17/h7-8,11-12,19H,5-6,9-10,18H2,1-4H3.
What are the key properties of 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol?
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol has a molecular weight of 261.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol is sourced from PubChem (CID 117408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).