N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C17H22N2O2 — CID 115510599

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1c(C)noc1C)CC2
InChIInChI=1S/C17H22N2O2/c1-11-17(12(2)21-19-11)10-18-15-6-4-13-5-7-16(20-3)9-14(13)8-15/h5,7,9,15,18H,4,6,8,10H2,1-3H3
InChIKeyADWICHNKEVIOQQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510599) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510599
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1c(C)noc1C)CC2
InChIInChI=1S/C17H22N2O2/c1-11-17(12(2)21-19-11)10-18-15-6-4-13-5-7-16(20-3)9-14(13)8-15/h5,7,9,15,18H,4,6,8,10H2,1-3H3
InChIKeyADWICHNKEVIOQQ-UHFFFAOYSA-N
XLogP2.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510616
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
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
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107417550
N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510619
7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510599) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCc1c(C)noc1C)CC2.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ADWICHNKEVIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-17(12(2)21-19-11)10-18-15-6-4-13-5-7-16(20-3)9-14(13)8-15/h5,7,9,15,18H,4,6,8,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).