1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine

C15H23ClN2 — CID 79384551

IUPAC1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC1NCCC1CN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-14(7-8-17-11)10-18(3)12(2)13-5-4-6-15(16)9-13/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3
InChIKeyLIVIZYLYRVTBLM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine

1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 79384551) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID79384551
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC1NCCC1CN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-14(7-8-17-11)10-18(3)12(2)13-5-4-6-15(16)9-13/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3
InChIKeyLIVIZYLYRVTBLM-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567011
1-(3-chlorophenyl)-N-methyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628582
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142719
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine (CID 79384551) is 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine is CC1NCCC1CN(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is LIVIZYLYRVTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-14(7-8-17-11)10-18(3)12(2)13-5-4-6-15(16)9-13/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 79384551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).