1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine

C16H24Cl2N2 — CID 79069274

IUPAC1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C16H24Cl2N2/c1-4-16(2,20-9-5-6-10-20)15(19-3)12-7-8-13(17)14(18)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyDGUAMMBYPZQLTA-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine

1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069274) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069274
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C16H24Cl2N2/c1-4-16(2,20-9-5-6-10-20)15(19-3)12-7-8-13(17)14(18)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyDGUAMMBYPZQLTA-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069276
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 79065335
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051461
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79069274) is 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is DGUAMMBYPZQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-16(2,20-9-5-6-10-20)15(19-3)12-7-8-13(17)14(18)11-12/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).