N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine

C13H20N2O — CID 115510402

IUPACN'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)CC(NCCN)CC2
InChIInChI=1S/C13H20N2O/c1-16-13-5-3-10-2-4-12(15-7-6-14)8-11(10)9-13/h3,5,9,12,15H,2,4,6-8,14H2,1H3
InChIKeyBMCMHASUKPNFAU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.10
Rot. Bonds4

About N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine

N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine (PubChem CID 115510402) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
PubChem CID115510402
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)CC(NCCN)CC2
InChIInChI=1S/C13H20N2O/c1-16-13-5-3-10-2-4-12(15-7-6-14)8-11(10)9-13/h3,5,9,12,15H,2,4,6-8,14H2,1H3
InChIKeyBMCMHASUKPNFAU-UHFFFAOYSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510529
7-methoxy-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510244
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103901402
7-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510431

Frequently Asked Questions

What is the IUPAC name of N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine (CID 115510402) is N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine is COc1ccc2c(c1)CC(NCCN)CC2.
What is the InChIKey of N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine?
The InChIKey is BMCMHASUKPNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-5-3-10-2-4-12(15-7-6-14)8-11(10)9-13/h3,5,9,12,15H,2,4,6-8,14H2,1H3.
What are the key properties of N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine?
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115510402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).