N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine

C20H25N — CID 65412296

IUPACN-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H25N/c1-3-12-21-20(16-10-8-15(2)9-11-16)19-13-17-6-4-5-7-18(17)14-19/h4-11,19-21H,3,12-14H2,1-2H3
InChIKeyAPXQGZRVOYPMBV-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.45
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine

N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 65412296) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
PubChem CID65412296
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H25N/c1-3-12-21-20(16-10-8-15(2)9-11-16)19-13-17-6-4-5-7-18(17)14-19/h4-11,19-21H,3,12-14H2,1-2H3
InChIKeyAPXQGZRVOYPMBV-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60816005
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65410532
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine (CID 65412296) is N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is APXQGZRVOYPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-12-21-20(16-10-8-15(2)9-11-16)19-13-17-6-4-5-7-18(17)14-19/h4-11,19-21H,3,12-14H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).