4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NO — CID 115419182

IUPAC4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(OC2CC(C)c3ccccc3C2N)cc1
InChIInChI=1S/C18H21NO/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyQKBZTLVVGJLZIV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.95
Rot. Bonds2

About 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419182) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419182
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(OC2CC(C)c3ccccc3C2N)cc1
InChIInChI=1S/C18H21NO/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyQKBZTLVVGJLZIV-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420497
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
4-methyl-2-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420154
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
N-ethyl-4-methyl-2-phenoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419175
2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103177106
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103532529
1-(3-chloro-2-methoxycyclobutyl)oxy-4-methylbenzene
CID 104673868
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 115420649
4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420529
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419182) is 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(OC2CC(C)c3ccccc3C2N)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QKBZTLVVGJLZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).