N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NO — CID 65456122

IUPACN-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C18H21NO/c1-19-17-11-5-10-16-15(17)9-6-12-18(16)20-13-14-7-3-2-4-8-14/h2-4,6-9,12,17,19H,5,10-11,13H2,1H3
InChIKeyXFCOHMCVMLBILS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds4

About N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456122) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456122
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C18H21NO/c1-19-17-11-5-10-16-15(17)9-6-12-18(16)20-13-14-7-3-2-4-8-14/h2-4,6-9,12,17,19H,5,10-11,13H2,1H3
InChIKeyXFCOHMCVMLBILS-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456675
5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454420
5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102880463
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63091001
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82865959
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454409
N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456122) is N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3ccccc3)cccc21.
What is the InChIKey of N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XFCOHMCVMLBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-17-11-5-10-16-15(17)9-6-12-18(16)20-13-14-7-3-2-4-8-14/h2-4,6-9,12,17,19H,5,10-11,13H2,1H3.
What are the key properties of N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).