4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol

C15H24N2O — CID 117374646

IUPAC4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(C2(N)CCCC2)cc(CN(C)C)c1O
InChIInChI=1S/C15H24N2O/c1-11-8-13(15(16)6-4-5-7-15)9-12(14(11)18)10-17(2)3/h8-9,18H,4-7,10,16H2,1-3H3
InChIKeyKHYAAPFSRJQFAR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds3

About 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol

4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol (PubChem CID 117374646) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol
PubChem CID117374646
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol
SMILESCc1cc(C2(N)CCCC2)cc(CN(C)C)c1O
InChIInChI=1S/C15H24N2O/c1-11-8-13(15(16)6-4-5-7-15)9-12(14(11)18)10-17(2)3/h8-9,18H,4-7,10,16H2,1-3H3
InChIKeyKHYAAPFSRJQFAR-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol
CID 84787545
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
CID 117332825
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]cyclopentane-1-carboxylic acid
CID 117444470
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117420244
5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296190
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The IUPAC name of 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol (CID 117374646) is 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The canonical SMILES for 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol is Cc1cc(C2(N)CCCC2)cc(CN(C)C)c1O.
What is the InChIKey of 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol?
The InChIKey is KHYAAPFSRJQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-13(15(16)6-4-5-7-15)9-12(14(11)18)10-17(2)3/h8-9,18H,4-7,10,16H2,1-3H3.
What are the key properties of 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol?
4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 117374646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).