2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine

C14H18ClN — CID 105497366

IUPAC2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=Cc2c(Cl)cccc2CC1
InChIInChI=1S/C14H18ClN/c1-14(2,16-3)11-8-7-10-5-4-6-13(15)12(10)9-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKXRYUHHLCAUEOK-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.67
Rot. Bonds2

About 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine

2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine (PubChem CID 105497366) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
PubChem CID105497366
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=Cc2c(Cl)cccc2CC1
InChIInChI=1S/C14H18ClN/c1-14(2,16-3)11-8-7-10-5-4-6-13(15)12(10)9-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKXRYUHHLCAUEOK-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine (CID 105497366) is 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine is CNC(C)(C)C1=Cc2c(Cl)cccc2CC1.
What is the InChIKey of 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
The InChIKey is KXRYUHHLCAUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-14(2,16-3)11-8-7-10-5-4-6-13(15)12(10)9-11/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine?
2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine has a molecular weight of 235.76 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105497366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).