N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine

C24H32N2 — CID 67821615

IUPACN-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cccc(CN2CCC(CNCC3Cc4ccccc4C3)CC2)c1
InChIInChI=1S/C24H32N2/c1-19-5-4-6-21(13-19)18-26-11-9-20(10-12-26)16-25-17-22-14-23-7-2-3-8-24(23)15-22/h2-8,13,20,22,25H,9-12,14-18H2,1H3
InChIKeySOFOIHDCKHGIBW-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.21
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine

N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 67821615) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
PubChem CID67821615
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cccc(CN2CCC(CNCC3Cc4ccccc4C3)CC2)c1
InChIInChI=1S/C24H32N2/c1-19-5-4-6-21(13-19)18-26-11-9-20(10-12-26)16-25-17-22-14-23-7-2-3-8-24(23)15-22/h2-8,13,20,22,25H,9-12,14-18H2,1H3
InChIKeySOFOIHDCKHGIBW-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine with MolForge

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Related Compounds

N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548674
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
bis((E)-but-2-enedioic acid);4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 67896208
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine (CID 67821615) is N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine is Cc1cccc(CN2CCC(CNCC3Cc4ccccc4C3)CC2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is SOFOIHDCKHGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-19-5-4-6-21(13-19)18-26-11-9-20(10-12-26)16-25-17-22-14-23-7-2-3-8-24(23)15-22/h2-8,13,20,22,25H,9-12,14-18H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine?
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 348.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 67821615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).