1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine

C13H17N — CID 105442796

IUPAC1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
SMILESCc1cccc2c1C(C(C)N)=CCC2
InChIInChI=1S/C13H17N/c1-9-5-3-6-11-7-4-8-12(10(2)14)13(9)11/h3,5-6,8,10H,4,7,14H2,1-2H3
InChIKeyLKIFMKWOVFKZTO-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.67
Rot. Bonds1

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

1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine (PubChem CID 105442796) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
PubChem CID105442796
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
SMILESCc1cccc2c1C(C(C)N)=CCC2
InChIInChI=1S/C13H17N/c1-9-5-3-6-11-7-4-8-12(10(2)14)13(9)11/h3,5-6,8,10H,4,7,14H2,1-2H3
InChIKeyLKIFMKWOVFKZTO-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.67
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-(7-chloro-3H-inden-1-yl)ethanamine
CID 105447751
N-methyl-1-(8-methyl-3,4-dihydronaphthalen-1-yl)methanamine
CID 105442806
4,5-dimethyl-9H-fluorene
CID 14389533
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
2-(1-aminoethyl)cyclohex-2-ene-1-thione
CID 123458209
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
4-ethyl-5-(2-methylpropyl)-1,2-dihydronaphthalene
CID 144809018
4,5-dimethyl-2,9-dihydro-1H-xanthene
CID 163641036
4,5-dimethyl-1H-isochromene
CID 174926956
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine (CID 105442796) is 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine is Cc1cccc2c1C(C(C)N)=CCC2.
What is the InChIKey of 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine?
The InChIKey is LKIFMKWOVFKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-5-3-6-11-7-4-8-12(10(2)14)13(9)11/h3,5-6,8,10H,4,7,14H2,1-2H3.
What are the key properties of 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine?
1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine has a molecular weight of 187.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 105442796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).