N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine

C14H21NO2 — CID 107149306

IUPACN-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCOCC(C)CNC1COCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(8-16-2)7-15-14-10-17-9-12-5-3-4-6-13(12)14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyQYVCBTQTWHSTGE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine

N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149306) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149306
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCOCC(C)CNC1COCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(8-16-2)7-15-14-10-17-9-12-5-3-4-6-13(12)14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyQYVCBTQTWHSTGE-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149303
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691
N-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
CID 107148964
N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-(2,2,3,3-tetrafluoropropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 114169070
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 167947026
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148812

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107149306) is N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine is COCC(C)CNC1COCc2ccccc21.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is QYVCBTQTWHSTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(8-16-2)7-15-14-10-17-9-12-5-3-4-6-13(12)14/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).