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

C18H20ClN — CID 81378308

IUPAC(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C18H20ClN/c1-13(17-7-2-3-8-18(17)19)20-12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13,20H,4-6,12H2,1H3/t13-/m0/s1
InChIKeyOYSSYCOPYGNKSS-ZDUSSCGKSA-N
MW285.82 g/mol
LogP4.68
Rot. Bonds4

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

(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (PubChem CID 81378308) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
PubChem CID81378308
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C18H20ClN/c1-13(17-7-2-3-8-18(17)19)20-12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13,20H,4-6,12H2,1H3/t13-/m0/s1
InChIKeyOYSSYCOPYGNKSS-ZDUSSCGKSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
N-[(2-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 43488296
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (CID 81378308) is (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is C[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The InChIKey is OYSSYCOPYGNKSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13(17-7-2-3-8-18(17)19)20-12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13,20H,4-6,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is sourced from PubChem (CID 81378308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).