[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol

C11H15ClFNO — CID 143403316

IUPAC[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
SMILESCO.NCC1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C10H11ClFN.CH4O/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10;1-2/h1-2,5H,3-4,6,13H2;2H,1H3
InChIKeyPIGSESGXQOWVNB-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.08
Rot. Bonds2

About [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol

[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol (PubChem CID 143403316) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
PubChem CID143403316
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
SMILESCO.NCC1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C10H11ClFN.CH4O/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10;1-2/h1-2,5H,3-4,6,13H2;2H,1H3
InChIKeyPIGSESGXQOWVNB-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 68947425
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol (CID 143403316) is [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol is CO.NCC1(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol?
The InChIKey is PIGSESGXQOWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.CH4O/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10;1-2/h1-2,5H,3-4,6,13H2;2H,1H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol?
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol has a molecular weight of 231.70 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol is sourced from PubChem (CID 143403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).