4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol

C16H25NO — CID 79855934

IUPAC4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCCC1(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H25NO/c1-4-14(12-7-9-13(18)10-8-12)17-15-6-5-11-16(15,2)3/h7-10,14-15,17-18H,4-6,11H2,1-3H3
InChIKeyGVPAYFGWQGOIPK-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds4

About 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol

4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol (PubChem CID 79855934) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
PubChem CID79855934
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCCC1(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H25NO/c1-4-14(12-7-9-13(18)10-8-12)17-15-6-5-11-16(15,2)3/h7-10,14-15,17-18H,4-6,11H2,1-3H3
InChIKeyGVPAYFGWQGOIPK-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol (CID 79855934) is 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol is CCC(NC1CCCC1(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol?
The InChIKey is GVPAYFGWQGOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(12-7-9-13(18)10-8-12)17-15-6-5-11-16(15,2)3/h7-10,14-15,17-18H,4-6,11H2,1-3H3.
What are the key properties of 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol?
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol is sourced from PubChem (CID 79855934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).