(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene

C18H23Cl2NOS — CID 142082667

IUPAC(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene
SMILESC=O.C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1.Cc1ccsc1
InChIInChI=1S/C12H15Cl2N.C5H6S.CH2O/c1-9-4-5-15(7-9)8-10-2-3-11(13)6-12(10)14;1-5-2-3-6-4-5;1-2/h2-3,6,9H,4-5,7-8H2,1H3;2-4H,1H3;1H2/t9-;;/m1../s1
InChIKeyLZWASUDUOGRNNZ-KLQYNRQASA-N
MW372.36 g/mol
LogP5.71
Rot. Bonds2

About (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene

(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene (PubChem CID 142082667) has the molecular formula C18H23Cl2NOS and a molecular weight of 372.36 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene
PubChem CID142082667
Molecular FormulaC18H23Cl2NOS
Molecular Weight372.36 g/mol
Exact Mass371.09
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene
SMILESC=O.C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1.Cc1ccsc1
InChIInChI=1S/C12H15Cl2N.C5H6S.CH2O/c1-9-4-5-15(7-9)8-10-2-3-11(13)6-12(10)14;1-5-2-3-6-4-5;1-2/h2-3,6,9H,4-5,7-8H2,1H3;2-4H,1H3;1H2/t9-;;/m1../s1
InChIKeyLZWASUDUOGRNNZ-KLQYNRQASA-N
XLogP5.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.36
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
(3S)-1-[(2,4-dichlorophenyl)methyl]-3-thiophen-3-ylpyrrolidine;4-(2-methoxy-2-methylpropyl)-1-methylpiperidine
CID 142082684
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
4-[(2,4-dichlorophenyl)methoxymethyl]-1-[[1-[(2,4-dichlorophenyl)methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine
CID 18364764
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene (CID 142082667) is (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene is C=O.C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1.Cc1ccsc1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene?
The InChIKey is LZWASUDUOGRNNZ-KLQYNRQASA-N. The full InChI is InChI=1S/C12H15Cl2N.C5H6S.CH2O/c1-9-4-5-15(7-9)8-10-2-3-11(13)6-12(10)14;1-5-2-3-6-4-5;1-2/h2-3,6,9H,4-5,7-8H2,1H3;2-4H,1H3;1H2/t9-;;/m1../s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene?
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene has a molecular weight of 372.36 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene is sourced from PubChem (CID 142082667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).