1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C14H20Cl2N2 — CID 106602368

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCN1
InChIInChI=1S/C14H20Cl2N2/c1-10(11-5-6-13(15)14(16)8-11)18(2)9-12-4-3-7-17-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyFIHMMCSPFPLMBS-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.74
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106602368) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106602368
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCN1
InChIInChI=1S/C14H20Cl2N2/c1-10(11-5-6-13(15)14(16)8-11)18(2)9-12-4-3-7-17-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyFIHMMCSPFPLMBS-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
3-[1-[methyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106623014
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 107355080

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106602368) is 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCN1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is FIHMMCSPFPLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10(11-5-6-13(15)14(16)8-11)18(2)9-12-4-3-7-17-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 287.23 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-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106602368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).