N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine

C13H17N — CID 105442806

IUPACN-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
SMILESCNCC1=CCCc2cccc(C)c21
InChIInChI=1S/C13H17N/c1-10-5-3-6-11-7-4-8-12(9-14-2)13(10)11/h3,5-6,8,14H,4,7,9H2,1-2H3
InChIKeyPHYLFVBQDYBAIG-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine

N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine (PubChem CID 105442806) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
PubChem CID105442806
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
SMILESCNCC1=CCCc2cccc(C)c21
InChIInChI=1S/C13H17N/c1-10-5-3-6-11-7-4-8-12(9-14-2)13(10)11/h3,5-6,8,14H,4,7,9H2,1-2H3
InChIKeyPHYLFVBQDYBAIG-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
CID 105435595
1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine
CID 105445145
1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
CID 105442796
1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144911911
N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)methanamine
CID 142218090
1-(6,7-dihydro-1,3-benzodioxol-4-yl)-N-methylmethanamine
CID 144515633
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
4,5-dimethyl-9H-fluorene
CID 14389533
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907
3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
ethane;4,5,9,10-tetrahydropyrene
CID 157285426

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine?
The IUPAC name of N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine (CID 105442806) is N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine is CNCC1=CCCc2cccc(C)c21.
What is the InChIKey of N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine?
The InChIKey is PHYLFVBQDYBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-5-3-6-11-7-4-8-12(9-14-2)13(10)11/h3,5-6,8,14H,4,7,9H2,1-2H3.
What are the key properties of N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine?
N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine has a molecular weight of 187.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 105442806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).