N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C13H19BrN2 — CID 60856573

IUPACN-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-16-6-5-12(10-16)9-15-8-11-3-2-4-13(14)7-11/h2-4,7,12,15H,5-6,8-10H2,1H3
InChIKeyWECHEBPGFWKSRF-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.49
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 60856573) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID60856573
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-16-6-5-12(10-16)9-15-8-11-3-2-4-13(14)7-11/h2-4,7,12,15H,5-6,8-10H2,1H3
InChIKeyWECHEBPGFWKSRF-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
N-[(3-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 115876249
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214133
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855920
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 60856573) is N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCc2cccc(Br)c2)C1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is WECHEBPGFWKSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16-6-5-12(10-16)9-15-8-11-3-2-4-13(14)7-11/h2-4,7,12,15H,5-6,8-10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 283.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60856573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).