N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

C15H22Cl2N2 — CID 91346922

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-12(19-8-2-3-9-19)11-18-7-6-13-4-5-14(16)15(17)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3
InChIKeyBKTGINSADBXGSE-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 91346922) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID91346922
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-12(19-8-2-3-9-19)11-18-7-6-13-4-5-14(16)15(17)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3
InChIKeyBKTGINSADBXGSE-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
3-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
CID 69122479
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
CID 67128440

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 91346922) is N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is CC(CNCCc1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BKTGINSADBXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-12(19-8-2-3-9-19)11-18-7-6-13-4-5-14(16)15(17)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 91346922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).