2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine

C11H15ClFN — CID 103049601

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-2-8(7-14)5-9-6-10(12)3-4-11(9)13/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyMQQPSOOUNXPZAG-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.01
Rot. Bonds4

About 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine

2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine (PubChem CID 103049601) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
PubChem CID103049601
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-2-8(7-14)5-9-6-10(12)3-4-11(9)13/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyMQQPSOOUNXPZAG-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 103051283
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
CID 103052162
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 103053845
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103048857

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine (CID 103049601) is 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine is CCC(CN)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine?
The InChIKey is MQQPSOOUNXPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-2-8(7-14)5-9-6-10(12)3-4-11(9)13/h3-4,6,8H,2,5,7,14H2,1H3.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine?
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 103049601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).