1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C15H22Cl2N2 — CID 79056042

IUPAC1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-15(2,19-7-3-4-8-19)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyLSAUDFCAOSSXNQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056042) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056042
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-15(2,19-7-3-4-8-19)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyLSAUDFCAOSSXNQ-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 ≤ 500301.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79045476
3-(azepan-1-yl)-1-(2,5-difluorophenyl)-3-methylbutan-2-amine
CID 79051217
1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79055718
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
3-(azepan-1-yl)-1-(2-fluorophenyl)-3-methylbutan-2-amine
CID 79050643
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
3-(azepan-1-yl)-1-(2,3-difluorophenyl)-3-methylbutan-2-amine
CID 79050926
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 103040217

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79056042) is 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CC(C)(C(N)Cc1cc(Cl)ccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is LSAUDFCAOSSXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-15(2,19-7-3-4-8-19)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 301.26 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-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).