1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C15H22ClFN2 — CID 105395170

IUPAC1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(F)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H22ClFN2/c1-3-15(2,19-8-4-5-9-19)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14H,3-5,8-9,18H2,1-2H3
InChIKeyOWJCUXCCKLVXBW-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 105395170) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID105395170
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(F)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H22ClFN2/c1-3-15(2,19-8-4-5-9-19)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14H,3-5,8-9,18H2,1-2H3
InChIKeyOWJCUXCCKLVXBW-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105397880
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 105395170) is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cc(F)ccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is OWJCUXCCKLVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-15(2,19-8-4-5-9-19)14(18)12-10-11(17)6-7-13(12)16/h6-7,10,14H,3-5,8-9,18H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 105395170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).