N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine

C14H21BrN2 — CID 63716370

IUPACN-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
SMILESCC1CNCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11-7-16-8-13(11)10-17(2)9-12-4-3-5-14(15)6-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyXHDOCOGTDNNAAI-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.74
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine

N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine (PubChem CID 63716370) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
PubChem CID63716370
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
SMILESCC1CNCC1CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11-7-16-8-13(11)10-17(2)9-12-4-3-5-14(15)6-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyXHDOCOGTDNNAAI-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
CID 114085144
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238727
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine (CID 63716370) is N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine is CC1CNCC1CN(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine?
The InChIKey is XHDOCOGTDNNAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-7-16-8-13(11)10-17(2)9-12-4-3-5-14(15)6-12/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine?
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine has a molecular weight of 297.24 g/mol, XLogP of 2.74, 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]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 63716370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).