N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine

C18H22BrNO2 — CID 59494231

IUPACN-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(Br)c2ccccc12
InChIInChI=1S/C18H22BrNO2/c1-21-9-4-10-22-17-11-13(12-20-14-7-8-14)18(19)16-6-3-2-5-15(16)17/h2-3,5-6,11,14,20H,4,7-10,12H2,1H3
InChIKeyWNJOMFUCZYMGEB-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.27
Rot. Bonds8

About N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine

N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine (PubChem CID 59494231) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine
PubChem CID59494231
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC NameN-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(Br)c2ccccc12
InChIInChI=1S/C18H22BrNO2/c1-21-9-4-10-22-17-11-13(12-20-14-7-8-14)18(19)16-6-3-2-5-15(16)17/h2-3,5-6,11,14,20H,4,7-10,12H2,1H3
InChIKeyWNJOMFUCZYMGEB-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine (CID 59494231) is N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine is COCCCOc1cc(CNC2CC2)c(Br)c2ccccc12.
What is the InChIKey of N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine?
The InChIKey is WNJOMFUCZYMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-21-9-4-10-22-17-11-13(12-20-14-7-8-14)18(19)16-6-3-2-5-15(16)17/h2-3,5-6,11,14,20H,4,7-10,12H2,1H3.
What are the key properties of N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine?
N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine has a molecular weight of 364.28 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-bromo-4-(3-methoxypropoxy)naphthalen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).