N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine

C18H28N2O — CID 115106288

IUPACN-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine
SMILESCNC(C)CC1Cc2ccccc2N1CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-14(19-2)11-17-12-16-5-3-4-6-18(16)20(17)13-15-7-9-21-10-8-15/h3-6,14-15,17,19H,7-13H2,1-2H3
InChIKeyCWVLAWNHTHNSBB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine

N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine (PubChem CID 115106288) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine
PubChem CID115106288
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine
SMILESCNC(C)CC1Cc2ccccc2N1CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-14(19-2)11-17-12-16-5-3-4-6-18(16)20(17)13-15-7-9-21-10-8-15/h3-6,14-15,17,19H,7-13H2,1-2H3
InChIKeyCWVLAWNHTHNSBB-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106344
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
CID 115106208
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575568
N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxan-4-amine
CID 103058526
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65410719
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
ethane;2-[4-(oxan-4-ylmethyl)piperazin-1-yl]aniline
CID 156797075

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine (CID 115106288) is N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine is CNC(C)CC1Cc2ccccc2N1CC1CCOCC1.
What is the InChIKey of N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine?
The InChIKey is CWVLAWNHTHNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(19-2)11-17-12-16-5-3-4-6-18(16)20(17)13-15-7-9-21-10-8-15/h3-6,14-15,17,19H,7-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine?
N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine is sourced from PubChem (CID 115106288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).