2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol

C14H21NO — CID 117312988

IUPAC2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
SMILESCc1ccc(O)c(C2(CN)CCCC2)c1C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16)13(11(10)2)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3
InChIKeyGJMPCAPMKXABQF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol

2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol (PubChem CID 117312988) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
PubChem CID117312988
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
SMILESCc1ccc(O)c(C2(CN)CCCC2)c1C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16)13(11(10)2)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3
InChIKeyGJMPCAPMKXABQF-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117436631
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
4-[1-(aminomethyl)cyclopentyl]-1,3-benzodioxol-5-ol
CID 117342196
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol (CID 117312988) is 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol is Cc1ccc(O)c(C2(CN)CCCC2)c1C.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol?
The InChIKey is GJMPCAPMKXABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-12(16)13(11(10)2)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol?
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol is sourced from PubChem (CID 117312988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).