N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C15H22N2O2 — CID 107149463

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCOC(CNC2COCc3ccccc32)C1
InChIInChI=1S/C15H22N2O2/c1-17-6-7-19-13(9-17)8-16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyIBFFIWFLQODURK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.18
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149463) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149463
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCOC(CNC2COCc3ccccc32)C1
InChIInChI=1S/C15H22N2O2/c1-17-6-7-19-13(9-17)8-16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyIBFFIWFLQODURK-UHFFFAOYSA-N
XLogP1.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532154
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 107149997
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 79082942
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 64534300
5-[(4-methylmorpholin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108016
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
CID 107149446

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149463) is N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is CN1CCOC(CNC2COCc3ccccc32)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is IBFFIWFLQODURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-6-7-19-13(9-17)8-16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 262.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).