(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine

C11H12ClFN2 — CID 141332825

IUPAC(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
SMILESC[C@@]1(c2cc(F)cc(Cl)c2)C=C(N)NC1
InChIInChI=1S/C11H12ClFN2/c1-11(5-10(14)15-6-11)7-2-8(12)4-9(13)3-7/h2-5,15H,6,14H2,1H3/t11-/m1/s1
InChIKeyPPZMWPVFZZKIDX-LLVKDONJSA-N
MW226.68 g/mol
LogP2.14
Rot. Bonds1

About (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine

(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine (PubChem CID 141332825) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
PubChem CID141332825
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
SMILESC[C@@]1(c2cc(F)cc(Cl)c2)C=C(N)NC1
InChIInChI=1S/C11H12ClFN2/c1-11(5-10(14)15-6-11)7-2-8(12)4-9(13)3-7/h2-5,15H,6,14H2,1H3/t11-/m1/s1
InChIKeyPPZMWPVFZZKIDX-LLVKDONJSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chloro-2-fluoro-5-methylphenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141333018
(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141332929
1-chloro-3,5-difluorobenzene
CID 159732874
(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine
CID 141332979
3-chloro-5-(1-methylcyclopropyl)aniline
CID 146667495
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170327098
2-[4-(3-chloro-5-fluorophenyl)piperidin-4-yl]acetonitrile
CID 174494905
N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235555
4-(3-chloro-5-fluorophenyl)-2-methylaniline
CID 115504609
3-(3-chloro-5-fluorophenyl)-1-ethyl-1-oxidopyrrolidin-1-ium-3-ol
CID 86643427
3-(3,5-dichlorophenyl)-3-fluoropyrrolidine
CID 25143664
1-(3-chloro-5-fluorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107370824

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine (CID 141332825) is (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The canonical SMILES for (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine is C[C@@]1(c2cc(F)cc(Cl)c2)C=C(N)NC1.
What is the InChIKey of (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
The InChIKey is PPZMWPVFZZKIDX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-11(5-10(14)15-6-11)7-2-8(12)4-9(13)3-7/h2-5,15H,6,14H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine?
(3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine has a molecular weight of 226.68 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-5-fluorophenyl)-3-methyl-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141332825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).