N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C14H18Br2N2 — CID 62511468

IUPACN-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(N2CCC(CNC3CC3)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2/c15-11-1-4-14(13(16)7-11)18-6-5-10(9-18)8-17-12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9H2
InChIKeySRTNQSVNZKKKMR-UHFFFAOYSA-N
MW374.12 g/mol
LogP3.79
Rot. Bonds4

About N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62511468) has the molecular formula C14H18Br2N2 and a molecular weight of 374.12 g/mol. Its IUPAC name is N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62511468
Molecular FormulaC14H18Br2N2
Molecular Weight374.12 g/mol
Exact Mass371.98
IUPAC NameN-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccc(N2CCC(CNC3CC3)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2/c15-11-1-4-14(13(16)7-11)18-6-5-10(9-18)8-17-12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9H2
InChIKeySRTNQSVNZKKKMR-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
1-(2,4-dibromophenyl)piperidin-4-amine
CID 61474438
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
N-[[1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64854781
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62511468) is N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Brc1ccc(N2CCC(CNC3CC3)C2)c(Br)c1.
What is the InChIKey of N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is SRTNQSVNZKKKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2/c15-11-1-4-14(13(16)7-11)18-6-5-10(9-18)8-17-12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9H2.
What are the key properties of N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 374.12 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62511468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).