N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine

C16H24BrNO3 — CID 103177897

IUPACN-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(Br)c(CNC2CC2)c1
InChIInChI=1S/C16H24BrNO3/c1-19-7-2-8-20-9-10-21-15-5-6-16(17)13(11-15)12-18-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12H2,1H3
InChIKeyKDVBEHLRJDIVOR-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.13
Rot. Bonds11

About N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 103177897) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID103177897
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC NameN-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(Br)c(CNC2CC2)c1
InChIInChI=1S/C16H24BrNO3/c1-19-7-2-8-20-9-10-21-15-5-6-16(17)13(11-15)12-18-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12H2,1H3
InChIKeyKDVBEHLRJDIVOR-UHFFFAOYSA-N
XLogP3.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180775
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-pent-3-ynoxyphenyl)methyl]cyclopropanamine
CID 104805382
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
1-[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]butan-2-amine
CID 103181894
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751
3-[[4-bromo-3-[(cyclopropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492228
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
CID 58083361
1-bromo-2-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 104648132

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 103177897) is N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is COCCCOCCOc1ccc(Br)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is KDVBEHLRJDIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-19-7-2-8-20-9-10-21-15-5-6-16(17)13(11-15)12-18-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12H2,1H3.
What are the key properties of N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 358.28 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103177897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).