1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine

C17H28ClN3 — CID 79310280

IUPAC1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3
InChIKeyNDVGFRVXJVALTC-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 79310280) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID79310280
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3
InChIKeyNDVGFRVXJVALTC-UHFFFAOYSA-N
XLogP3.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 79310287
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310265
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine (CID 79310280) is 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine is CCN1CCCC1CN(C)CCC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is NDVGFRVXJVALTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 309.88 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 79310280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).