4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol

C13H17NO — CID 143506167

IUPAC4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol
SMILESCNCC1(c2ccc(O)cc2)CC=CC1
InChIInChI=1S/C13H17NO/c1-14-10-13(8-2-3-9-13)11-4-6-12(15)7-5-11/h2-7,14-15H,8-10H2,1H3
InChIKeyQJMFHSIUZXUIJJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds3

About 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol

4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol (PubChem CID 143506167) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol.

Molecular Properties

Compound Name4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol
PubChem CID143506167
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol
SMILESCNCC1(c2ccc(O)cc2)CC=CC1
InChIInChI=1S/C13H17NO/c1-14-10-13(8-2-3-9-13)11-4-6-12(15)7-5-11/h2-7,14-15H,8-10H2,1H3
InChIKeyQJMFHSIUZXUIJJ-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-[2-(methylamino)ethyl]cyclopentyl]phenol
CID 71396935
4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
CID 116989151
N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
CID 65353248
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
4-(1-aminocyclopent-3-en-1-yl)phenol
CID 115063014
N-[[1-(4-bromophenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353821
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
2-methoxy-4-[1-(methylaminomethyl)cyclopropyl]phenol
CID 105425961
1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105464919
N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
CID 80525238
N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
CID 112517810

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol?
The IUPAC name of 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol (CID 143506167) is 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol.
What is the SMILES notation for 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol?
The canonical SMILES for 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol is CNCC1(c2ccc(O)cc2)CC=CC1.
What is the InChIKey of 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol?
The InChIKey is QJMFHSIUZXUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-10-13(8-2-3-9-13)11-4-6-12(15)7-5-11/h2-7,14-15H,8-10H2,1H3.
What are the key properties of 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol?
4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol has a molecular weight of 203.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylaminomethyl)cyclopent-3-en-1-yl]phenol is sourced from PubChem (CID 143506167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).