1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine

C17H27ClN2 — CID 62628581

IUPAC1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-9-19-17(15-5-4-6-16(18)12-15)8-11-20-10-7-14(2)13-20/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3
InChIKeyLWRXCSUKHLBJJE-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds7

About 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine

1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 62628581) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID62628581
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-9-19-17(15-5-4-6-16(18)12-15)8-11-20-10-7-14(2)13-20/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3
InChIKeyLWRXCSUKHLBJJE-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63494166
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 62628581) is 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCC(C)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is LWRXCSUKHLBJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-9-19-17(15-5-4-6-16(18)12-15)8-11-20-10-7-14(2)13-20/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine?
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62628581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).