1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine

C16H25BrN2O2 — CID 103539152

IUPAC1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(OC)C(OC)C1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O2/c1-18-14(12-5-4-6-13(17)9-12)7-8-19-10-15(20-2)16(11-19)21-3/h4-6,9,14-16,18H,7-8,10-11H2,1-3H3
InChIKeyHHKJDUHGYBTQPI-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.45
Rot. Bonds7

About 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine

1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 103539152) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID103539152
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(OC)C(OC)C1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O2/c1-18-14(12-5-4-6-13(17)9-12)7-8-19-10-15(20-2)16(11-19)21-3/h4-6,9,14-16,18H,7-8,10-11H2,1-3H3
InChIKeyHHKJDUHGYBTQPI-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103539140
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-bromophenyl)-N-methylpropan-1-amine
CID 79933548
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine (CID 103539152) is 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CC(OC)C(OC)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is HHKJDUHGYBTQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-18-14(12-5-4-6-13(17)9-12)7-8-19-10-15(20-2)16(11-19)21-3/h4-6,9,14-16,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 357.29 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).