(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine

C19H23N — CID 81361061

IUPAC(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-14-5-3-7-18(11-14)15(2)20-13-16-9-10-17-6-4-8-19(17)12-16/h3,5,7,9-12,15,20H,4,6,8,13H2,1-2H3/t15-/m0/s1
InChIKeyXQNBTKQESOYWAF-HNNXBMFYSA-N
MW265.40 g/mol
LogP4.33
Rot. Bonds4

About (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine

(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine (PubChem CID 81361061) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
PubChem CID81361061
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H23N/c1-14-5-3-7-18(11-14)15(2)20-13-16-9-10-17-6-4-8-19(17)12-16/h3,5,7,9-12,15,20H,4,6,8,13H2,1-2H3/t15-/m0/s1
InChIKeyXQNBTKQESOYWAF-HNNXBMFYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81378308
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine (CID 81361061) is (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is XQNBTKQESOYWAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-5-3-7-18(11-14)15(2)20-13-16-9-10-17-6-4-8-19(17)12-16/h3,5,7,9-12,15,20H,4,6,8,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine?
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81361061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).