1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine

C16H25ClN2O — CID 103538970

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(OC)C1)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-3-18-16(13-5-4-6-14(17)11-13)8-10-19-9-7-15(12-19)20-2/h4-6,11,15-16,18H,3,7-10,12H2,1-2H3
InChIKeyTZGWMRPTUYSKSY-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.10
Rot. Bonds7

About 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine

1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103538970) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103538970
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(OC)C1)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-3-18-16(13-5-4-6-14(17)11-13)8-10-19-9-7-15(12-19)20-2/h4-6,11,15-16,18H,3,7-10,12H2,1-2H3
InChIKeyTZGWMRPTUYSKSY-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62630652
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine (CID 103538970) is 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine is CCNC(CCN1CCC(OC)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is TZGWMRPTUYSKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-18-16(13-5-4-6-14(17)11-13)8-10-19-9-7-15(12-19)20-2/h4-6,11,15-16,18H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 3.10, 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-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103538970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).