7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H22N2OS — CID 104584935

IUPAC7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCC(C)c1nccs1)CC2
InChIInChI=1S/C17H22N2OS/c1-12(17-18-7-8-21-17)11-19-15-5-3-13-4-6-16(20-2)10-14(13)9-15/h4,6-8,10,12,15,19H,3,5,9,11H2,1-2H3
InChIKeyPJOMROZOIGGNBT-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.40
Rot. Bonds5

About 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 104584935) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID104584935
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCC(C)c1nccs1)CC2
InChIInChI=1S/C17H22N2OS/c1-12(17-18-7-8-21-17)11-19-15-5-3-13-4-6-16(20-2)10-14(13)9-15/h4,6-8,10,12,15,19H,3,5,9,11H2,1-2H3
InChIKeyPJOMROZOIGGNBT-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-2-amine
CID 104585038
N-(2-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510619
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510244
7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510616
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
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 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 104584935) is 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCC(C)c1nccs1)CC2.
What is the InChIKey of 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PJOMROZOIGGNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(17-18-7-8-21-17)11-19-15-5-3-13-4-6-16(20-2)10-14(13)9-15/h4,6-8,10,12,15,19H,3,5,9,11H2,1-2H3.
What are the key properties of 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 302.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 104584935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).