N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine

C12H17BrN2 — CID 62327410

IUPACN-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C12H17BrN2/c1-15(12-5-6-14-8-12)9-10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8-9H2,1H3
InChIKeyLFJCGEQWZVQZEN-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.24
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 62327410) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID62327410
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cccc(Br)c1)C1CCNC1
InChIInChI=1S/C12H17BrN2/c1-15(12-5-6-14-8-12)9-10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8-9H2,1H3
InChIKeyLFJCGEQWZVQZEN-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-cyclopropylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 79984146
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine (CID 62327410) is N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine is CN(Cc1cccc(Br)c1)C1CCNC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is LFJCGEQWZVQZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15(12-5-6-14-8-12)9-10-3-2-4-11(13)7-10/h2-4,7,12,14H,5-6,8-9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.24, 3 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-methylpyrrolidin-3-amine is sourced from PubChem (CID 62327410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).