N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

C16H19BrN2O — CID 66404154

IUPACN-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(Cn2ccc(CNC3CC3)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-20-15-4-5-16(17)13(8-15)11-19-7-6-12(10-19)9-18-14-2-3-14/h4-8,10,14,18H,2-3,9,11H2,1H3
InChIKeyZBMARRZBAHPEJA-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 66404154) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID66404154
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(Cn2ccc(CNC3CC3)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-20-15-4-5-16(17)13(8-15)11-19-7-6-12(10-19)9-18-14-2-3-14/h4-8,10,14,18H,2-3,9,11H2,1H3
InChIKeyZBMARRZBAHPEJA-UHFFFAOYSA-N
XLogP3.56
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405984
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 82920458
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405969
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (CID 66404154) is N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is COc1ccc(Br)c(Cn2ccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is ZBMARRZBAHPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-20-15-4-5-16(17)13(8-15)11-19-7-6-12(10-19)9-18-14-2-3-14/h4-8,10,14,18H,2-3,9,11H2,1H3.
What are the key properties of N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 335.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66404154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).