N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine

C16H22BrN — CID 80668709

IUPACN-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H22BrN/c17-10-11-18(15-8-9-15)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,14-15H,3,5-6,8-12H2
InChIKeyCWVNLRNQPBECAD-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.97
Rot. Bonds5

About N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine (PubChem CID 80668709) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
PubChem CID80668709
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC NameN-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCCc2ccccc21)C1CC1
InChIInChI=1S/C16H22BrN/c17-10-11-18(15-8-9-15)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,14-15H,3,5-6,8-12H2
InChIKeyCWVNLRNQPBECAD-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclobutanamine
CID 102861027
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclopentanamine
CID 80673360
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)cyclobutanamine
CID 102861379
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 66394307

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine (CID 80668709) is N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine is BrCCN(CC1CCCc2ccccc21)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine?
The InChIKey is CWVNLRNQPBECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-10-11-18(15-8-9-15)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,14-15H,3,5-6,8-12H2.
What are the key properties of N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine has a molecular weight of 308.26 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80668709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).