N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

C14H18BrFN2 — CID 120842332

IUPACN-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESFc1cccc(Br)c1CN(C1CC1)C1CCNC1
InChIInChI=1S/C14H18BrFN2/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11/h1-3,10-11,17H,4-9H2
InChIKeyCEGLMBKSKZKCBD-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (PubChem CID 120842332) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
PubChem CID120842332
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC NameN-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESFc1cccc(Br)c1CN(C1CC1)C1CCNC1
InChIInChI=1S/C14H18BrFN2/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11/h1-3,10-11,17H,4-9H2
InChIKeyCEGLMBKSKZKCBD-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-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-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966582
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3S)-oxolan-3-yl]pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69064329
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69062092
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 114165846
N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 120836431
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
CID 11278131
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839243

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (CID 120842332) is N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is Fc1cccc(Br)c1CN(C1CC1)C1CCNC1.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is CEGLMBKSKZKCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11/h1-3,10-11,17H,4-9H2.
What are the key properties of N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 313.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 120842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).