N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine

C18H19BrN2 — CID 62205571

IUPACN-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(CNC2CC2)c(N2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19BrN2/c19-16-6-5-13(10-20-17-7-8-17)18(9-16)21-11-14-3-1-2-4-15(14)12-21/h1-6,9,17,20H,7-8,10-12H2
InChIKeyQAHRCNISBRYYIL-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.22
Rot. Bonds4

About N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine

N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 62205571) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID62205571
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC NameN-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(CNC2CC2)c(N2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19BrN2/c19-16-6-5-13(10-20-17-7-8-17)18(9-16)21-11-14-3-1-2-4-15(14)12-21/h1-6,9,17,20H,7-8,10-12H2
InChIKeyQAHRCNISBRYYIL-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356996
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine (CID 62205571) is N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine is Brc1ccc(CNC2CC2)c(N2Cc3ccccc3C2)c1.
What is the InChIKey of N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is QAHRCNISBRYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c19-16-6-5-13(10-20-17-7-8-17)18(9-16)21-11-14-3-1-2-4-15(14)12-21/h1-6,9,17,20H,7-8,10-12H2.
What are the key properties of N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine?
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 343.27 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62205571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).