2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine

C18H21N — CID 105018656

IUPAC2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21N/c1-2-13-5-3-8-16(11-13)18(19)17-10-9-14-6-4-7-15(14)12-17/h3,5,8-12,18H,2,4,6-7,19H2,1H3
InChIKeyXQCVXVKULLWVIG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.79
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine

2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine (PubChem CID 105018656) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
PubChem CID105018656
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21N/c1-2-13-5-3-8-16(11-13)18(19)17-10-9-14-6-4-7-15(14)12-17/h3,5,8-12,18H,2,4,6-7,19H2,1H3
InChIKeyXQCVXVKULLWVIG-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018724
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
3-[4-(3-ethylphenyl)hexan-2-yl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 171601669
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-ethylphenyl)methyl]hydrazine
CID 105326278
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine (CID 105018656) is 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine?
The InChIKey is XQCVXVKULLWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-13-5-3-8-16(11-13)18(19)17-10-9-14-6-4-7-15(14)12-17/h3,5,8-12,18H,2,4,6-7,19H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine?
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).