2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol

C12H15ClFNO — CID 117361338

IUPAC2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1C1(CN)CCC1
InChIInChI=1S/C12H15ClFNO/c1-7-8(13)5-9(14)11(16)10(7)12(6-15)3-2-4-12/h5,16H,2-4,6,15H2,1H3
InChIKeyNNTWVBRPMDJGFI-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.87
Rot. Bonds2

About 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol

2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol (PubChem CID 117361338) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
PubChem CID117361338
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
SMILESCc1c(Cl)cc(F)c(O)c1C1(CN)CCC1
InChIInChI=1S/C12H15ClFNO/c1-7-8(13)5-9(14)11(16)10(7)12(6-15)3-2-4-12/h5,16H,2-4,6,15H2,1H3
InChIKeyNNTWVBRPMDJGFI-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
3-[1-(aminomethyl)cyclobutyl]-4-chlorobenzene-1,2-diol
CID 117327819
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol (CID 117361338) is 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol is Cc1c(Cl)cc(F)c(O)c1C1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol?
The InChIKey is NNTWVBRPMDJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-8(13)5-9(14)11(16)10(7)12(6-15)3-2-4-12/h5,16H,2-4,6,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol?
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol has a molecular weight of 243.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol is sourced from PubChem (CID 117361338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).