1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C17H26Cl2N2 — CID 79051283

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C(C)(C)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-4-20-16(17(2,3)21-10-5-6-11-21)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,4-6,10-12H2,1-3H3
InChIKeyYOGCMJKADGTVSI-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.39
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79051283) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79051283
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C(C)(C)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-4-20-16(17(2,3)21-10-5-6-11-21)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,4-6,10-12H2,1-3H3
InChIKeyYOGCMJKADGTVSI-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79575382
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
N,5-diethyl-2-methyl-2-piperidin-1-ylheptan-3-amine
CID 82922639
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79051283) is 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(Cc1c(Cl)cccc1Cl)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is YOGCMJKADGTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-4-20-16(17(2,3)21-10-5-6-11-21)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 329.31 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79051283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).