ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H23NO — CID 165394416

IUPACethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC.CNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO.C2H6/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-2/h3-5,10,13H,6-8H2,1-2H3;1-2H3
InChIKeyBPYRNLBCOSFICR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.80
Rot. Bonds2

About ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 165394416) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Nameethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID165394416
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC.CNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO.C2H6/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-2/h3-5,10,13H,6-8H2,1-2H3;1-2H3
InChIKeyBPYRNLBCOSFICR-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine
CID 125138715
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105474792
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 165394416) is ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CC.CNC1CCc2c(cccc2OC)C1.
What is the InChIKey of ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BPYRNLBCOSFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-2/h3-5,10,13H,6-8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 165394416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).