2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

C10H18BrF3N2 — CID 64759351

IUPAC2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCN1CCC(CN(C)CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H18BrF3N2/c1-15-4-3-8(5-15)6-16(2)7-9(11)10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyBMPDNGANGOYYPW-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.20
Rot. Bonds4

About 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 64759351) has the molecular formula C10H18BrF3N2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID64759351
Molecular FormulaC10H18BrF3N2
Molecular Weight303.17 g/mol
Exact Mass302.06
IUPAC Name2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCN1CCC(CN(C)CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H18BrF3N2/c1-15-4-3-8(5-15)6-16(2)7-9(11)10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyBMPDNGANGOYYPW-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63273734
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (CID 64759351) is 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is CN1CCC(CN(C)CC(Br)C(F)(F)F)C1.
What is the InChIKey of 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is BMPDNGANGOYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3N2/c1-15-4-3-8(5-15)6-16(2)7-9(11)10(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 303.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 64759351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).