ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene

C20H29N — CID 162687970

IUPACethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
SMILESCC.Cc1ccc2c(c1)CCC2N.Cc1cccc(C)c1
InChIInChI=1S/C10H13N.C8H10.C2H6/c1-7-2-4-9-8(6-7)3-5-10(9)11;1-7-4-3-5-8(2)6-7;1-2/h2,4,6,10H,3,5,11H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyZUPIGQHBBZBCRM-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.27
Rot. Bonds

About ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene

ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene (PubChem CID 162687970) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
PubChem CID162687970
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Nameethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
SMILESCC.Cc1ccc2c(c1)CCC2N.Cc1cccc(C)c1
InChIInChI=1S/C10H13N.C8H10.C2H6/c1-7-2-4-9-8(6-7)3-5-10(9)11;1-7-4-3-5-8(2)6-7;1-2/h2,4,6,10H,3,5,11H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyZUPIGQHBBZBCRM-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 114081049
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
(1R)-5-methylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 55293922
4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 114081048
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081094
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene?
The IUPAC name of ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene (CID 162687970) is ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene.
What is the SMILES notation for ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene?
The canonical SMILES for ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene is CC.Cc1ccc2c(c1)CCC2N.Cc1cccc(C)c1.
What is the InChIKey of ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene?
The InChIKey is ZUPIGQHBBZBCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C8H10.C2H6/c1-7-2-4-9-8(6-7)3-5-10(9)11;1-7-4-3-5-8(2)6-7;1-2/h2,4,6,10H,3,5,11H2,1H3;3-6H,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene?
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene has a molecular weight of 283.46 g/mol, XLogP of 5.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene is sourced from PubChem (CID 162687970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).