N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C15H19BrF2N2 — CID 106264936

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFc1ccc(Br)c(F)c1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H19BrF2N2/c16-13-5-6-14(17)12(15(13)18)9-20(11-3-4-11)8-10-2-1-7-19-10/h5-6,10-11,19H,1-4,7-9H2
InChIKeyDVZHHXQAVXYFRL-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106264936) has the molecular formula C15H19BrF2N2 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106264936
Molecular FormulaC15H19BrF2N2
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFc1ccc(Br)c(F)c1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C15H19BrF2N2/c16-13-5-6-14(17)12(15(13)18)9-20(11-3-4-11)8-10-2-1-7-19-10/h5-6,10-11,19H,1-4,7-9H2
InChIKeyDVZHHXQAVXYFRL-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631534
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
CID 106268507
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(2-chloroethyl)cyclobutanamine
CID 106272497
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]acetonitrile
CID 106264001
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835456
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599215
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106264936) is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Fc1ccc(Br)c(F)c1CN(CC1CCCN1)C1CC1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is DVZHHXQAVXYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2N2/c16-13-5-6-14(17)12(15(13)18)9-20(11-3-4-11)8-10-2-1-7-19-10/h5-6,10-11,19H,1-4,7-9H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 345.23 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106264936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).