(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine

C12H15ClN2 — CID 141332979

IUPAC(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine
SMILESCC[C@@]1(c2ccc(Cl)cc2)C=C(N)NC1
InChIInChI=1S/C12H15ClN2/c1-2-12(7-11(14)15-8-12)9-3-5-10(13)6-4-9/h3-7,15H,2,8,14H2,1H3/t12-/m1/s1
InChIKeyHZVKJYDASJJVDP-GFCCVEGCSA-N
MW222.72 g/mol
LogP2.39
Rot. Bonds2

About (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine

(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine (PubChem CID 141332979) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine
PubChem CID141332979
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine
SMILESCC[C@@]1(c2ccc(Cl)cc2)C=C(N)NC1
InChIInChI=1S/C12H15ClN2/c1-2-12(7-11(14)15-8-12)9-3-5-10(13)6-4-9/h3-7,15H,2,8,14H2,1H3/t12-/m1/s1
InChIKeyHZVKJYDASJJVDP-GFCCVEGCSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 66735510
4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine
CID 129166728
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
CID 91613724
3-(4-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155376
(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332830
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-(4-chlorophenyl)cyclobut-2-en-1-amine
CID 88950912
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
CID 143339018
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine (CID 141332979) is (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine is CC[C@@]1(c2ccc(Cl)cc2)C=C(N)NC1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine?
The InChIKey is HZVKJYDASJJVDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-2-12(7-11(14)15-8-12)9-3-5-10(13)6-4-9/h3-7,15H,2,8,14H2,1H3/t12-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine?
(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine has a molecular weight of 222.72 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141332979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).