N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine

C13H19NO — CID 59487278

IUPACN-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc2c(c1)COCC2
InChIInChI=1S/C13H19NO/c1-10(2)14-8-11-3-4-12-5-6-15-9-13(12)7-11/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyAQZMCJYSZSUTEG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine

N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine (PubChem CID 59487278) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
PubChem CID59487278
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc2c(c1)COCC2
InChIInChI=1S/C13H19NO/c1-10(2)14-8-11-3-4-12-5-6-15-9-13(12)7-11/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyAQZMCJYSZSUTEG-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 115702426
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
CID 117292707
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-methyl-6-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193953
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
CID 169145384
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine (CID 59487278) is N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine is CC(C)NCc1ccc2c(c1)COCC2.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine?
The InChIKey is AQZMCJYSZSUTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-8-11-3-4-12-5-6-15-9-13(12)7-11/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine?
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine is sourced from PubChem (CID 59487278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).