N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C14H20ClN — CID 115263460

IUPACN-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCN(CCl)CCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20ClN/c1-16(11-15)9-8-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyKUAMXYHISJSYTD-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.24
Rot. Bonds4

About N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 115263460) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID115263460
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCN(CCl)CCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20ClN/c1-16(11-15)9-8-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyKUAMXYHISJSYTD-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 115263460) is N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CN(CCl)CCc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is KUAMXYHISJSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-16(11-15)9-8-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 115263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).