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

C14H20Cl2N2 — CID 54766010

IUPAC2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
SMILESCN(C)CC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H20Cl2N2/c1-17(2)10-14(18-7-3-4-8-18)11-5-6-12(15)13(16)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyRMHUUYGUVGERHQ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.69
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine (PubChem CID 54766010) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
PubChem CID54766010
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
SMILESCN(C)CC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H20Cl2N2/c1-17(2)10-14(18-7-3-4-8-18)11-5-6-12(15)13(16)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyRMHUUYGUVGERHQ-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine (CID 54766010) is 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine is CN(C)CC(c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is RMHUUYGUVGERHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17(2)10-14(18-7-3-4-8-18)11-5-6-12(15)13(16)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine?
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 54766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).