N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine

C14H19BrF2N2 — CID 106264854

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1c(F)ccc(Br)c1F)C1CCNC1
InChIInChI=1S/C14H19BrF2N2/c1-2-7-19(10-5-6-18-8-10)9-11-13(16)4-3-12(15)14(11)17/h3-4,10,18H,2,5-9H2,1H3
InChIKeyZCVOLOZSXVQBGP-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.30
Rot. Bonds5

About N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 106264854) has the molecular formula C14H19BrF2N2 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID106264854
Molecular FormulaC14H19BrF2N2
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1c(F)ccc(Br)c1F)C1CCNC1
InChIInChI=1S/C14H19BrF2N2/c1-2-7-19(10-5-6-18-8-10)9-11-13(16)4-3-12(15)14(11)17/h3-4,10,18H,2,5-9H2,1H3
InChIKeyZCVOLOZSXVQBGP-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.30
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-2,6-difluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835456
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 114165846
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
CID 106268507
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(2-chloroethyl)cyclobutanamine
CID 106272497
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 106264854) is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1c(F)ccc(Br)c1F)C1CCNC1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is ZCVOLOZSXVQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2/c1-2-7-19(10-5-6-18-8-10)9-11-13(16)4-3-12(15)14(11)17/h3-4,10,18H,2,5-9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 333.22 g/mol, XLogP of 3.30, 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-propylpyrrolidin-3-amine is sourced from PubChem (CID 106264854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).