N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine

C19H21NO — CID 115418421

IUPACN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CCC(NC2COc3ccccc32)c2ccccc21
InChIInChI=1S/C19H21NO/c1-13-10-11-17(15-7-3-2-6-14(13)15)20-18-12-21-19-9-5-4-8-16(18)19/h2-9,13,17-18,20H,10-12H2,1H3
InChIKeyLRDYCICPVBUREZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.35
Rot. Bonds2

About N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine

N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115418421) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115418421
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1CCC(NC2COc3ccccc32)c2ccccc21
InChIInChI=1S/C19H21NO/c1-13-10-11-17(15-7-3-2-6-14(13)15)20-18-12-21-19-9-5-4-8-16(18)19/h2-9,13,17-18,20H,10-12H2,1H3
InChIKeyLRDYCICPVBUREZ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
4-methyl-N-(2-methylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418459
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
N-(2-ethylcyclopropyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114107749
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzodioxol-5-amine
CID 115418161
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N-(3-ethyl-2-methylcyclopentyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418444
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 115418421) is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine is CC1CCC(NC2COc3ccccc32)c2ccccc21.
What is the InChIKey of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LRDYCICPVBUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-10-11-17(15-7-3-2-6-14(13)15)20-18-12-21-19-9-5-4-8-16(18)19/h2-9,13,17-18,20H,10-12H2,1H3.
What are the key properties of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 279.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115418421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).