N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine

C20H25N — CID 66481639

IUPACN-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-14(2)21-13-16-7-10-20(15(3)11-16)19-9-8-17-5-4-6-18(17)12-19/h7-12,14,21H,4-6,13H2,1-3H3
InChIKeyJKXDYIGPDLTGFM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.65
Rot. Bonds4

About N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 66481639) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID66481639
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-14(2)21-13-16-7-10-20(15(3)11-16)19-9-8-17-5-4-6-18(17)12-19/h7-12,14,21H,4-6,13H2,1-3H3
InChIKeyJKXDYIGPDLTGFM-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine
CID 66481637
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol
CID 167878538
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine (CID 66481639) is N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1-c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is JKXDYIGPDLTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)21-13-16-7-10-20(15(3)11-16)19-9-8-17-5-4-6-18(17)12-19/h7-12,14,21H,4-6,13H2,1-3H3.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 66481639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).