4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol

C14H21NO — CID 80693061

IUPAC4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
SMILESCC1(C)CCC(N)(Cc2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)9-11-3-5-12(16)6-4-11/h3-6,16H,7-10,15H2,1-2H3
InChIKeyHIPGWKWWAFZPNI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds2

About 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol

4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol (PubChem CID 80693061) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
PubChem CID80693061
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
SMILESCC1(C)CCC(N)(Cc2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)9-11-3-5-12(16)6-4-11/h3-6,16H,7-10,15H2,1-2H3
InChIKeyHIPGWKWWAFZPNI-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol?
The IUPAC name of 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol (CID 80693061) is 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol.
What is the SMILES notation for 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol?
The canonical SMILES for 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol is CC1(C)CCC(N)(Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol?
The InChIKey is HIPGWKWWAFZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)9-11-3-5-12(16)6-4-11/h3-6,16H,7-10,15H2,1-2H3.
What are the key properties of 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol?
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol is sourced from PubChem (CID 80693061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).