(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine

C17H18ClNS — CID 81353201

IUPAC(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1Cc2ccccc2S1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNS/c1-12(13-6-8-15(18)9-7-13)19-11-16-10-14-4-2-3-5-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyMYUZPWSEPKFDSR-ZGTOLYCTSA-N
MW303.86 g/mol
LogP4.71
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine

(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine (PubChem CID 81353201) has the molecular formula C17H18ClNS and a molecular weight of 303.86 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
PubChem CID81353201
Molecular FormulaC17H18ClNS
Molecular Weight303.86 g/mol
Exact Mass303.08
IUPAC Name(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
SMILESC[C@@H](NCC1Cc2ccccc2S1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNS/c1-12(13-6-8-15(18)9-7-13)19-11-16-10-14-4-2-3-5-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyMYUZPWSEPKFDSR-ZGTOLYCTSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 79222243
1-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propan-2-amine
CID 79224418
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354541
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433827
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
1-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbutan-2-amine
CID 107859245
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859499
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
CID 79222390

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine (CID 81353201) is (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine is C[C@@H](NCC1Cc2ccccc2S1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine?
The InChIKey is MYUZPWSEPKFDSR-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H18ClNS/c1-12(13-6-8-15(18)9-7-13)19-11-16-10-14-4-2-3-5-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine?
(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine has a molecular weight of 303.86 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 81353201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).