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

C17H27ClN2 — CID 63142719

IUPAC1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)C(C)c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C17H27ClN2/c1-4-8-17(9-10-19-12-17)13-20(3)14(2)15-6-5-7-16(18)11-15/h5-7,11,14,19H,4,8-10,12-13H2,1-3H3
InChIKeyWRWYDLGWZQEJIR-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds6

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

1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 63142719) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID63142719
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)C(C)c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C17H27ClN2/c1-4-8-17(9-10-19-12-17)13-20(3)14(2)15-6-5-7-16(18)11-15/h5-7,11,14,19H,4,8-10,12-13H2,1-3H3
InChIKeyWRWYDLGWZQEJIR-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974771
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62984013
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
1-(3-chlorophenyl)-N-methyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628582
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (CID 63142719) is 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is CCCC1(CN(C)C(C)c2cccc(Cl)c2)CCNC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is WRWYDLGWZQEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-8-17(9-10-19-12-17)13-20(3)14(2)15-6-5-7-16(18)11-15/h5-7,11,14,19H,4,8-10,12-13H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 6 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-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63142719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).