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

C15H23NO — CID 79248252

IUPACN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
SMILESCOc1ccc2c(c1)C(CNC(C)C)CCC2
InChIInChI=1S/C15H23NO/c1-11(2)16-10-13-6-4-5-12-7-8-14(17-3)9-15(12)13/h7-9,11,13,16H,4-6,10H2,1-3H3
InChIKeyOOVCQUDFTIBRGI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds4

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

N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine (PubChem CID 79248252) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
PubChem CID79248252
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
SMILESCOc1ccc2c(c1)C(CNC(C)C)CCC2
InChIInChI=1S/C15H23NO/c1-11(2)16-10-13-6-4-5-12-7-8-14(17-3)9-15(12)13/h7-9,11,13,16H,4-6,10H2,1-3H3
InChIKeyOOVCQUDFTIBRGI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
CID 79248643
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
CID 83050599
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
CID 57180108
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239504

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine (CID 79248252) is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine is COc1ccc2c(c1)C(CNC(C)C)CCC2.
What is the InChIKey of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine?
The InChIKey is OOVCQUDFTIBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)16-10-13-6-4-5-12-7-8-14(17-3)9-15(12)13/h7-9,11,13,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine?
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 79248252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).